7-Chloro-2,3-dihydro-1-(2-methyl-4-nitrobenzoyl)-1H-1-benzazepin-5-yl 2-methyl-4-nitrobenzoate

Details

Stereochemistry	ACHIRAL
Molecular Formula	C26H20ClN3O7
Molecular Weight	521.906
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 7-Chloro-2,3-dihydro-1-(2-methyl-4-nitrobenzoyl)-1H-1-benzazepin-5-yl 2-methyl-4-nitrobenzoate

Structure Search

SMILES

CC1=C(C=CC(=C1)[N+]([O-])=O)C(=O)OC2=CCCN(C(=O)C3=C(C)C=C(C=C3)[N+]([O-])=O)C4=CC=C(Cl)C=C24

InChI

InChIKey=IBNSDMAQLYKFOQ-UHFFFAOYSA-N

InChI=1S/C26H20ClN3O7/c1-15-12-18(29(33)34)6-8-20(15)25(31)28-11-3-4-24(22-14-17(27)5-10-23(22)28)37-26(32)21-9-7-19(30(35)36)13-16(21)2/h4-10,12-14H,3,11H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C26H20ClN3O7
Molecular Weight	521.906
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:32:50 GMT 2023` Edited by `admin` on `Sat Dec 16 19:32:50 GMT 2023`
Record UNII	JRY95JQ6FG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

7-Chloro-2,3-dihydro-1-(2-methyl-4-nitrobenzoyl)-1H-1-benzazepin-5-yl 2-methyl-4-nitrobenzoate

Systematic Name

English

Benzoic acid, 2-methyl-4-nitro-, 7-chloro-2,3-dihydro-1-(2-methyl-4-nitrobenzoyl)-1H-1-benzazepin-5-yl ester

Systematic Name

English

2-Methyl-4-nitrobenzoic acid 1-(2-methyl-4-nitrobenzoyl)-7-chloro-2,3-dihydro-1H-benzo[b]azepin-5-yl ester

Systematic Name

English

Code System Code Type Description

FDA UNII

JRY95JQ6FG

Created by admin on Sat Dec 16 19:32:50 GMT 2023 , Edited by admin on Sat Dec 16 19:32:50 GMT 2023

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CAS

1580889-34-4

Created by admin on Sat Dec 16 19:32:50 GMT 2023 , Edited by admin on Sat Dec 16 19:32:50 GMT 2023

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PUBCHEM

71767692

Created by admin on Sat Dec 16 19:32:50 GMT 2023 , Edited by admin on Sat Dec 16 19:32:50 GMT 2023

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