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

Systemtic Name: methyl 4-azanyl-8-nitro-2-sulfanylidene-1,5-dihydro-1,5-benzodiazepine-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C11H10N4O4S MolecularWeight: 294.2865

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10N4O4S/c1-19-11(16)8-9(12)13-6-3-2-5(15(17)18)4-7(6)14-10(8)20/h2-4,13H,12H2,1H3,(H,14,20)