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Details

Stereochemistry ACHIRAL
Molecular Formula C21H16N4O8
Molecular Weight 452.3737
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Bis(4-nitrophenyl) (4-methyl-1,3-phenylene)dicarbamate

SMILES

CC1=C(NC(=O)OC2=CC=C(C=C2)[N+]([O-])=O)C=C(NC(=O)OC3=CC=C(C=C3)[N+]([O-])=O)C=C1

InChI

InChIKey=DNVSZCZZFZEHDP-UHFFFAOYSA-N
InChI=1S/C21H16N4O8/c1-13-2-3-14(22-20(26)32-17-8-4-15(5-9-17)24(28)29)12-19(13)23-21(27)33-18-10-6-16(7-11-18)25(30)31/h2-12H,1H3,(H,22,26)(H,23,27)

HIDE SMILES / InChI

Molecular Formula C21H16N4O8
Molecular Weight 452.3737
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 12:27:21 GMT 2023
Edited
by admin
on Sat Dec 16 12:27:21 GMT 2023
Record UNII
28R659CV2U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Bis(4-nitrophenyl) (4-methyl-1,3-phenylene)dicarbamate
Systematic Name English
C,C′-Bis(4-nitrophenyl) N,N′-(4-methyl-1,3-phenylene)bis[carbamate]
Systematic Name English
Carbamic acid, N,N′-(4-methyl-1,3-phenylene)bis-, C,C′-bis(4-nitrophenyl) ester
Systematic Name English
Code System Code Type Description
PUBCHEM
85057
Created by admin on Sat Dec 16 12:27:22 GMT 2023 , Edited by admin on Sat Dec 16 12:27:22 GMT 2023
PRIMARY
ECHA (EC/EINECS)
239-788-8
Created by admin on Sat Dec 16 12:27:22 GMT 2023 , Edited by admin on Sat Dec 16 12:27:22 GMT 2023
PRIMARY
CAS
15690-54-7
Created by admin on Sat Dec 16 12:27:22 GMT 2023 , Edited by admin on Sat Dec 16 12:27:22 GMT 2023
PRIMARY
FDA UNII
28R659CV2U
Created by admin on Sat Dec 16 12:27:22 GMT 2023 , Edited by admin on Sat Dec 16 12:27:22 GMT 2023
PRIMARY
EPA CompTox
DTXSID80166158
Created by admin on Sat Dec 16 12:27:22 GMT 2023 , Edited by admin on Sat Dec 16 12:27:22 GMT 2023
PRIMARY