NCX-530

Details

Stereochemistry	ACHIRAL
Molecular Formula	C26H21ClN2O7
Molecular Weight	508.907
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC2=C(C=C1)N(C(=O)C3=CC=C(Cl)C=C3)C(C)=C2CC(=O)OC4=CC=CC(CO[N+]([O-])=O)=C4

InChI

InChIKey=CDBYEQYEPGILFF-UHFFFAOYSA-N

InChI=1S/C26H21ClN2O7/c1-16-22(14-25(30)36-21-5-3-4-17(12-21)15-35-29(32)33)23-13-20(34-2)10-11-24(23)28(16)26(31)18-6-8-19(27)9-7-18/h3-13H,14-15H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C26H21ClN2O7
Molecular Weight	508.907
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 10:31:21 GMT 2023` Edited by `admin` on `Sat Dec 16 10:31:21 GMT 2023`
Record UNII	74M2BDB5QT
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NCX-530

Common Name

English

1-(4-CHLOROBENZOYL)-5-METHOXY-2-METHYL-3-INDOLEACETIC ACID 3-(NITROXYMETHYL)PHENYL ESTER

Systematic Name

English

3-((NITROOXY)METHYL)PHENYL 1-(4-CHLOROBENZOYL)-5-METHOXY-2-METHYL-1H-INDOLE-3-ACETATE

Systematic Name

English

1H-INDOLE-3-ACETIC ACID, 1-(4-CHLOROBENZOYL)-5-METHOXY-2-METHYL-, 3-((NITROOXY)METHYL)PHENYL ESTER

Systematic Name

English

Code System Code Type Description

PUBCHEM

9806301

Created by admin on Sat Dec 16 10:31:21 GMT 2023 , Edited by admin on Sat Dec 16 10:31:21 GMT 2023

PRIMARY

CAS

204268-63-3

Created by admin on Sat Dec 16 10:31:21 GMT 2023 , Edited by admin on Sat Dec 16 10:31:21 GMT 2023

PRIMARY

FDA UNII

74M2BDB5QT

Created by admin on Sat Dec 16 10:31:21 GMT 2023 , Edited by admin on Sat Dec 16 10:31:21 GMT 2023

PRIMARY

Related Record Type Details


					74M2BDB5QT

NCX-530

ACTIVE MOIETY