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

Systemtic Name: ethyl 9-chloranyl-7-(2-chlorophenyl)-3-oxidanylidene-5H-pyrimido[1,2-a][1,4]benzodiazepine-1-carboxylate Openeye Name: ethyl 9-chloro-7-(2-chlorophenyl)-3-oxo-5H-pyrimido[1,2-a][1,4]benzodiazepine-1-carboxylate CAS Name: 9-chloro-7-(2-chlorophenyl)-3-oxo-5H-pyrimido[1,2-a][1,4]benzodiazepine-1-carboxylic acid ethyl ester IUPAC Name: ethyl 9-chloro-7-(2-chlorophenyl)-3-oxo-5H-pyrimido[1,2-a][1,4]benzodiazepine-1-carboxylate Traditional Name: 9-chloro-7-(2-chlorophenyl)-3-keto-5H-pyrimido[1,2-a][1,4]benzodiazepine-1-carboxylic acid ethyl ester Formula: C21H15Cl2N3O3 MolecularWeight: 428.2681

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=O)N=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4Cl

Isomeric SMILES

CCOC(=O)C1=CC(=O)N=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4Cl

InChI

InChI=1S/C21H15Cl2N3O3/c1-2-29-21(28)17-10-19(27)25-18-11-24-20(13-5-3-4-6-15(13)23)14-9-12(22)7-8-16(14)26(17)18/h3-10H,2,11H2,1H3