methyl 4-[[(3S)-3-(2-methoxy-2-oxidanylidene-ethyl)-2,5-bis(oxidanylidene)-1,3-dihydro-1,4-benzodiazepin-4-yl]methyl]benzoate

Systemtic Name: methyl 4-[[(3S)-3-(2-methoxy-2-oxidanylidene-ethyl)-2,5-bis(oxidanylidene)-1,3-dihydro-1,4-benzodiazepin-4-yl]methyl]benzoate Openeye Name: methyl 4-[[(3S)-3-(2-methoxy-2-oxo-ethyl)-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]methyl]benzoate CAS Name: 4-[[(3S)-3-(2-methoxy-2-oxoethyl)-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(3S)-3-(2-methoxy-2-oxoethyl)-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]methyl]benzoate Traditional Name: 4-[[(3S)-2,5-diketo-3-(2-keto-2-methoxy-ethyl)-1,3-dihydro-1,4-benzodiazepin-4-yl]methyl]benzoic acid methyl ester Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C(=O)NC2=CC=CC=C2C(=O)N1CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

COC(=O)C[C@H]1C(=O)NC2=CC=CC=C2C(=O)N1CC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H20N2O6/c1-28-18(24)11-17-19(25)22-16-6-4-3-5-15(16)20(26)23(17)12-13-7-9-14(10-8-13)21(27)29-2/h3-10,17H,11-12H2,1-2H3,(H,22,25)/t17-/m0/s1