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2-(2-azanyl-6-nitro-3H-1,4-benzodiazepin-5-yl)benzenecarbonitrile

2-(2-azanyl-6-nitro-3H-1,4-benzodiazepin-5-yl)benzenecarbonitrile

Systemtic Name:2-(2-azanyl-6-nitro-3H-1,4-benzodiazepin-5-yl)benzenecarbonitrile
Openeye Name:2-(2-amino-6-nitro-3H-1,4-benzodiazepin-5-yl)benzonitrile
CAS Name:2-(2-amino-6-nitro-3H-1,4-benzodiazepin-5-yl)benzonitrile
IUPAC Name:2-(2-amino-6-nitro-3H-1,4-benzodiazepin-5-yl)benzonitrile
Traditional Name:2-(2-amino-6-nitro-3H-1,4-benzodiazepin-5-yl)benzonitrile
Formula: C16H11N5O2
MolecularWeight: 305.29084
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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NC2=C(C(=CC=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3C#N)N


Isomeric SMILES

C1C(=NC2=C(C(=CC=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3C#N)N


InChI

InChI=1S/C16H11N5O2/c17-8-10-4-1-2-5-11(10)16-15-12(20-14(18)9-19-16)6-3-7-13(15)21(22)23/h1-7H,9H2,(H2,18,20)


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