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Details

Stereochemistry ACHIRAL
Molecular Formula C16H11N3O5
Molecular Weight 325.2756
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NITRAZEPIC ACID

SMILES

OC(=O)C1=C(O)NC2=C(C=C(C=C2)[N+]([O-])=O)C(=N1)C3=CC=CC=C3

InChI

InChIKey=FQNQEMWAXXXFSE-UHFFFAOYSA-N
InChI=1S/C16H11N3O5/c20-15-14(16(21)22)18-13(9-4-2-1-3-5-9)11-8-10(19(23)24)6-7-12(11)17-15/h1-8,17,20H,(H,21,22)

HIDE SMILES / InChI

Molecular Formula C16H11N3O5
Molecular Weight 325.2756
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:44:55 UTC 2023
Edited
by admin
on Fri Dec 15 15:44:55 UTC 2023
Record UNII
1HPA15G63C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NITRAZEPIC ACID
Common Name English
1H-1,4-BENZODIAZEPINE-3-CARBOXYLIC ACID, 2-HYDROXY-7-NITRO-5-PHENYL-
Common Name English
1H-1,4-BENZODIAZEPINE-3-CARBOXYLIC ACID, 2,3-DIHYDRO-7-NITRO-2-OXO-5-PHENYL-
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID90863560
Created by admin on Fri Dec 15 15:44:55 UTC 2023 , Edited by admin on Fri Dec 15 15:44:55 UTC 2023
PRIMARY
CAS
60676-80-4
Created by admin on Fri Dec 15 15:44:55 UTC 2023 , Edited by admin on Fri Dec 15 15:44:55 UTC 2023
PRIMARY
CAS
802875-87-2
Created by admin on Fri Dec 15 15:44:55 UTC 2023 , Edited by admin on Fri Dec 15 15:44:55 UTC 2023
ALTERNATIVE
ECHA (EC/EINECS)
262-372-2
Created by admin on Fri Dec 15 15:44:55 UTC 2023 , Edited by admin on Fri Dec 15 15:44:55 UTC 2023
PRIMARY
PUBCHEM
21741
Created by admin on Fri Dec 15 15:44:55 UTC 2023 , Edited by admin on Fri Dec 15 15:44:55 UTC 2023
PRIMARY
FDA UNII
1HPA15G63C
Created by admin on Fri Dec 15 15:44:55 UTC 2023 , Edited by admin on Fri Dec 15 15:44:55 UTC 2023
PRIMARY
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SALT/SOLVATE -> PARENT
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