ethyl 7-chloranyl-3-deuterio-2-oxidanylidene-5-phenyl-1H-1,4-benzodiazepine-3-carboxylate

Systemtic Name: ethyl 7-chloranyl-3-deuterio-2-oxidanylidene-5-phenyl-1H-1,4-benzodiazepine-3-carboxylate Openeye Name: ethyl 7-chloro-3-deuterio-2-oxo-5-phenyl-1H-1,4-benzodiazepine-3-carboxylate CAS Name: 7-chloro-3-deuterio-2-oxo-5-phenyl-1H-1,4-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 7-chloro-3-deuterio-2-oxo-5-phenyl-1H-1,4-benzodiazepine-3-carboxylate Traditional Name: 7-chloro-3-deuterio-2-keto-5-phenyl-1H-1,4-benzodiazepine-3-carboxylic acid ethyl ester Formula: C18H15ClN2O3 MolecularWeight: 343.782462

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3

Isomeric SMILES

[2H]C1(C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C18H15ClN2O3/c1-2-24-18(23)16-17(22)20-14-9-8-12(19)10-13(14)15(21-16)11-6-4-3-5-7-11/h3-10,16H,2H2,1H3,(H,20,22)/i16D