ethyl 4-azanyl-8-nitro-2-sulfanylidene-1,5-dihydro-1,5-benzodiazepine-3-carboxylate

Systemtic Name: ethyl 4-azanyl-8-nitro-2-sulfanylidene-1,5-dihydro-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 4-amino-8-nitro-2-thioxo-1,5-dihydro-1,5-benzodiazepine-3-carboxylate CAS Name: 4-amino-8-nitro-2-sulfanylidene-1,5-dihydro-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-8-nitro-2-sulfanylidene-1,5-dihydro-1,5-benzodiazepine-3-carboxylate Traditional Name: 4-amino-8-nitro-2-thioxo-1,5-dihydro-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C12H12N4O4S MolecularWeight: 308.31308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=C(C=C(C=C2)[N+](=O)[O-])NC1=S)N

Isomeric SMILES

CCOC(=O)C1=C(NC2=C(C=C(C=C2)[N+](=O)[O-])NC1=S)N

InChI

InChI=1S/C12H12N4O4S/c1-2-20-12(17)9-10(13)14-7-4-3-6(16(18)19)5-8(7)15-11(9)21/h3-5,14H,2,13H2,1H3,(H,15,21)