methyl 7-(2-chlorophenyl)-9-nitro-3-oxidanylidene-5H-pyrimido[1,2-a][1,4]benzodiazepine-1-carboxylate

Systemtic Name: methyl 7-(2-chlorophenyl)-9-nitro-3-oxidanylidene-5H-pyrimido[1,2-a][1,4]benzodiazepine-1-carboxylate Openeye Name: methyl 7-(2-chlorophenyl)-9-nitro-3-oxo-5H-pyrimido[1,2-a][1,4]benzodiazepine-1-carboxylate CAS Name: 7-(2-chlorophenyl)-9-nitro-3-oxo-5H-pyrimido[1,2-a][1,4]benzodiazepine-1-carboxylic acid methyl ester IUPAC Name: methyl 7-(2-chlorophenyl)-9-nitro-3-oxo-5H-pyrimido[1,2-a][1,4]benzodiazepine-1-carboxylate Traditional Name: 7-(2-chlorophenyl)-3-keto-9-nitro-5H-pyrimido[1,2-a][1,4]benzodiazepine-1-carboxylic acid methyl ester Formula: C20H13ClN4O5 MolecularWeight: 424.79402

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=O)N=C2N1C3=C(C=C(C=C3)[N+](=O)[O-])C(=NC2)C4=CC=CC=C4Cl

Isomeric SMILES

COC(=O)C1=CC(=O)N=C2N1C3=C(C=C(C=C3)[N+](=O)[O-])C(=NC2)C4=CC=CC=C4Cl

InChI

InChI=1S/C20H13ClN4O5/c1-30-20(27)16-9-18(26)23-17-10-22-19(12-4-2-3-5-14(12)21)13-8-11(25(28)29)6-7-15(13)24(16)17/h2-9H,10H2,1H3