U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C17H14N4O4
Molecular Weight 338.3175
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of D-58SI

SMILES

CNC(=O)N1C2=C(C=C(C=C2)[N+]([O-])=O)C(=NCC1=O)C3=CC=CC=C3

InChI

InChIKey=PDLWQTVMGHECQL-UHFFFAOYSA-N
InChI=1S/C17H14N4O4/c1-18-17(23)20-14-8-7-12(21(24)25)9-13(14)16(19-10-15(20)22)11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,18,23)

HIDE SMILES / InChI

Molecular Formula C17H14N4O4
Molecular Weight 338.3175
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 09:39:56 GMT 2023
Edited
by admin
on Sat Dec 16 09:39:56 GMT 2023
Record UNII
4IAH4S28J2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
D-58SI
Common Name English
1H-1,4-BENZODIAZEPINE-1-CARBOXAMIDE, 2,3-DIHYDRO-N-METHYL-7-NITRO-2-OXO-5-PHENYL-
Systematic Name English
2,3-DIHYDRO-N-METHYL-7-NITRO-2-OXO-5-PHENYL-1H-1,4-BENZODIAZEPINE-1-CARBOXAMIDE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID50181499
Created by admin on Sat Dec 16 09:39:56 GMT 2023 , Edited by admin on Sat Dec 16 09:39:56 GMT 2023
PRIMARY
CAS
27016-91-7
Created by admin on Sat Dec 16 09:39:56 GMT 2023 , Edited by admin on Sat Dec 16 09:39:56 GMT 2023
PRIMARY
PUBCHEM
33670
Created by admin on Sat Dec 16 09:39:56 GMT 2023 , Edited by admin on Sat Dec 16 09:39:56 GMT 2023
PRIMARY
FDA UNII
4IAH4S28J2
Created by admin on Sat Dec 16 09:39:56 GMT 2023 , Edited by admin on Sat Dec 16 09:39:56 GMT 2023
PRIMARY