[2-(4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxidanylidene-ethyl] 2,5-dimethoxybenzoate

Systemtic Name: [2-(4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxidanylidene-ethyl] 2,5-dimethoxybenzoate Openeye Name: [2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxo-ethyl] 2,5-dimethoxybenzoate CAS Name: 2,5-dimethoxybenzoic acid [2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl] 2,5-dimethoxybenzoate Traditional Name: 2,5-dimethoxybenzoic acid [2-keto-2-(2-keto-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)ethyl] ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=CC=CC=C2N1C(=O)COC(=O)C3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CC1CC(=O)NC2=CC=CC=C2N1C(=O)COC(=O)C3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C21H22N2O6/c1-13-10-19(24)22-16-6-4-5-7-17(16)23(13)20(25)12-29-21(26)15-11-14(27-2)8-9-18(15)28-3/h4-9,11,13H,10,12H2,1-3H3,(H,22,24)