methyl 3-methoxy-4-[2-(4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxidanylidene-ethoxy]benzoate

Systemtic Name: methyl 3-methoxy-4-[2-(4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxidanylidene-ethoxy]benzoate Openeye Name: methyl 3-methoxy-4-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxo-ethoxy]benzoate CAS Name: 3-methoxy-4-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethoxy]benzoic acid methyl ester IUPAC Name: methyl 3-methoxy-4-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethoxy]benzoate Traditional Name: 4-[2-keto-2-(2-keto-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)ethoxy]-3-methoxy-benzoic acid methyl ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=CC=CC=C2N1C(=O)COC3=C(C=C(C=C3)C(=O)OC)OC

Isomeric SMILES

CC1CC(=O)NC2=CC=CC=C2N1C(=O)COC3=C(C=C(C=C3)C(=O)OC)OC

InChI

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