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

Systemtic Name: 3-[5-(2-chlorophenyl)-7-nitro-3-oxidanyl-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]propanenitrile Openeye Name: 3-[5-(2-chlorophenyl)-3-hydroxy-7-nitro-2-oxo-3H-1,4-benzodiazepin-1-yl]propanenitrile CAS Name: 3-[5-(2-chlorophenyl)-3-hydroxy-7-nitro-2-oxo-3H-1,4-benzodiazepin-1-yl]propanenitrile IUPAC Name: 3-[5-(2-chlorophenyl)-3-hydroxy-7-nitro-2-oxo-3H-1,4-benzodiazepin-1-yl]propanenitrile Traditional Name: 3-[5-(2-chlorophenyl)-3-hydroxy-2-keto-7-nitro-3H-1,4-benzodiazepin-1-yl]propionitrile Formula: C18H13ClN4O4 MolecularWeight: 384.77322

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H13ClN4O4/c19-14-5-2-1-4-12(14)16-13-10-11(23(26)27)6-7-15(13)22(9-3-8-20)18(25)17(24)21-16/h1-2,4-7,10,17,24H,3,9H2