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

Systemtic Name: [2-[(4S)-4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxidanylidene-ethyl] 2-(4-methanoylphenoxy)ethanoate Openeye Name: [2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxo-ethyl] 2-(4-formylphenoxy)acetate CAS Name: 2-(4-formylphenoxy)acetic acid [2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl] ester IUPAC Name: [2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl] 2-(4-formylphenoxy)acetate Traditional Name: 2-(4-formylphenoxy)acetic acid [2-keto-2-[(4S)-2-keto-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]ethyl] ester Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H]1CC(=O)NC2=CC=CC=C2N1C(=O)COC(=O)COC3=CC=C(C=C3)C=O

InChI

InChI=1S/C21H20N2O6/c1-14-10-19(25)22-17-4-2-3-5-18(17)23(14)20(26)12-29-21(27)13-28-16-8-6-15(11-24)7-9-16/h2-9,11,14H,10,12-13H2,1H3,(H,22,25)/t14-/m0/s1