(3E)-3-(butylaminomethylidene)-7,8-dimethyl-6-nitro-1,5-dihydro-1,5-benzodiazepine-2,4-dione

Systemtic Name: (3E)-3-(butylaminomethylidene)-7,8-dimethyl-6-nitro-1,5-dihydro-1,5-benzodiazepine-2,4-dione Openeye Name: (3E)-3-(butylaminomethylene)-7,8-dimethyl-6-nitro-1,5-dihydro-1,5-benzodiazepine-2,4-dione CAS Name: (3E)-3-(butylaminomethylidene)-7,8-dimethyl-6-nitro-1,5-dihydro-1,5-benzodiazepine-2,4-dione IUPAC Name: (3E)-3-(butylaminomethylidene)-7,8-dimethyl-6-nitro-1,5-dihydro-1,5-benzodiazepine-2,4-dione Traditional Name: (3E)-3-(butylaminomethylene)-7,8-dimethyl-6-nitro-1,5-dihydro-1,5-benzodiazepine-2,4-quinone Formula: C16H20N4O4 MolecularWeight: 332.3544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC=C1C(=O)NC2=C(C(=C(C(=C2)C)C)[N+](=O)[O-])NC1=O

Isomeric SMILES

CCCCN/C=C/1\C(=O)NC2=C(C(=C(C(=C2)C)C)[N+](=O)[O-])NC1=O

InChI

InChI=1S/C16H20N4O4/c1-4-5-6-17-8-11-15(21)18-12-7-9(2)10(3)14(20(23)24)13(12)19-16(11)22/h7-8,17H,4-6H2,1-3H3,(H,18,21)(H,19,22)/b11-8+