methyl 5-(2-methoxy-2-oxidanylidene-ethanoyl)-4-methyl-2-[(E)-2-phenylethenyl]-1,3-benzodiazepine-5-carboxylate

Systemtic Name: methyl 5-(2-methoxy-2-oxidanylidene-ethanoyl)-4-methyl-2-[(E)-2-phenylethenyl]-1,3-benzodiazepine-5-carboxylate Openeye Name: methyl 5-(2-methoxy-2-oxo-acetyl)-4-methyl-2-[(E)-styryl]-1,3-benzodiazepine-5-carboxylate CAS Name: 5-(2-methoxy-1,2-dioxoethyl)-4-methyl-2-[(E)-2-phenylethenyl]-1,3-benzodiazepine-5-carboxylic acid methyl ester IUPAC Name: methyl 5-(2-methoxy-2-oxoacetyl)-4-methyl-2-[(E)-2-phenylethenyl]-1,3-benzodiazepine-5-carboxylate Traditional Name: 5-methoxalyl-4-methyl-2-[(E)-styryl]-1,3-benzodiazepine-5-carboxylic acid methyl ester Formula: C23H20N2O5 MolecularWeight: 404.4153

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=CC=CC=C2C1(C(=O)C(=O)OC)C(=O)OC)C=CC3=CC=CC=C3

Isomeric SMILES

CC1=NC(=NC2=CC=CC=C2C1(C(=O)C(=O)OC)C(=O)OC)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C23H20N2O5/c1-15-23(22(28)30-3,20(26)21(27)29-2)17-11-7-8-12-18(17)25-19(24-15)14-13-16-9-5-4-6-10-16/h4-14H,1-3H3/b14-13+