3-(7-nitro-3-oxidanyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl)propanenitrile

Systemtic Name: 3-(7-nitro-3-oxidanyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl)propanenitrile Openeye Name: 3-(3-hydroxy-7-nitro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)propanenitrile CAS Name: 3-(3-hydroxy-7-nitro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)propanenitrile IUPAC Name: 3-(3-hydroxy-7-nitro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)propanenitrile Traditional Name: 3-(3-hydroxy-2-keto-7-nitro-5-phenyl-3H-1,4-benzodiazepin-1-yl)propionitrile Formula: C18H14N4O4 MolecularWeight: 350.32816

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(C(=O)N(C3=C2C=C(C=C3)[N+](=O)[O-])CCC#N)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(C(=O)N(C3=C2C=C(C=C3)[N+](=O)[O-])CCC#N)O

InChI

InChI=1S/C18H14N4O4/c19-9-4-10-21-15-8-7-13(22(25)26)11-14(15)16(20-17(23)18(21)24)12-5-2-1-3-6-12/h1-3,5-8,11,17,23H,4,10H2