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

Systemtic Name: ethyl 7-(2-chlorophenyl)-9-nitro-3-oxidanylidene-5H-pyrimido[1,2-a][1,4]benzodiazepine-1-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C21H15ClN4O5 MolecularWeight: 438.8206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15ClN4O5/c1-2-31-21(28)17-10-19(27)24-18-11-23-20(13-5-3-4-6-15(13)22)14-9-12(26(29)30)7-8-16(14)25(17)18/h3-10H,2,11H2,1H3