ethyl 6-methyl-2-oxidanyl-3-oxidanylidene-4,5,7-triphenyl-1,4-diazepine-2-carboxylate

Systemtic Name: ethyl 6-methyl-2-oxidanyl-3-oxidanylidene-4,5,7-triphenyl-1,4-diazepine-2-carboxylate Openeye Name: ethyl 2-hydroxy-6-methyl-3-oxo-4,5,7-triphenyl-1,4-diazepine-2-carboxylate CAS Name: 2-hydroxy-6-methyl-3-oxo-4,5,7-triphenyl-1,4-diazepine-2-carboxylic acid ethyl ester IUPAC Name: ethyl 2-hydroxy-6-methyl-3-oxo-4,5,7-triphenyl-1,4-diazepine-2-carboxylate Traditional Name: 2-hydroxy-3-keto-6-methyl-4,5,7-triphenyl-1,4-diazepine-2-carboxylic acid ethyl ester Formula: C27H24N2O4 MolecularWeight: 440.49046

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(=O)N(C(=C(C(=N1)C2=CC=CC=C2)C)C3=CC=CC=C3)C4=CC=CC=C4)O

Isomeric SMILES

CCOC(=O)C1(C(=O)N(C(=C(C(=N1)C2=CC=CC=C2)C)C3=CC=CC=C3)C4=CC=CC=C4)O

InChI

InChI=1S/C27H24N2O4/c1-3-33-26(31)27(32)25(30)29(22-17-11-6-12-18-22)24(21-15-9-5-10-16-21)19(2)23(28-27)20-13-7-4-8-14-20/h4-18,32H,3H2,1-2H3