(3E)-3-(dimethylaminomethylidene)-1-methyl-7-nitro-5-phenyl-1,4-benzodiazepin-2-one

Systemtic Name: (3E)-3-(dimethylaminomethylidene)-1-methyl-7-nitro-5-phenyl-1,4-benzodiazepin-2-one Openeye Name: (3E)-3-(dimethylaminomethylene)-1-methyl-7-nitro-5-phenyl-1,4-benzodiazepin-2-one CAS Name: (3E)-3-(dimethylaminomethylidene)-1-methyl-7-nitro-5-phenyl-1,4-benzodiazepin-2-one IUPAC Name: (3E)-3-(dimethylaminomethylidene)-1-methyl-7-nitro-5-phenyl-1,4-benzodiazepin-2-one Traditional Name: (3E)-3-(dimethylaminomethylene)-1-methyl-7-nitro-5-phenyl-1,4-benzodiazepin-2-one Formula: C19H18N4O3 MolecularWeight: 350.37122

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=NC(=CN(C)C)C1=O)C3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=N/C(=C/N(C)C)/C1=O)C3=CC=CC=C3

InChI

InChI=1S/C19H18N4O3/c1-21(2)12-16-19(24)22(3)17-10-9-14(23(25)26)11-15(17)18(20-16)13-7-5-4-6-8-13/h4-12H,1-3H3/b16-12+