(phenylmethyl) 2-[2,5-bis(oxidanylidene)-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[2,5-bis(oxidanylidene)-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]ethanoate Openeye Name: benzyl 2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)acetate CAS Name: 2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)acetate Traditional Name: 2-(2,5-diketo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)acetic acid benzyl ester Formula: C18H16N2O4 MolecularWeight: 324.33064

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CC2C(=O)NC3=CC=CC=C3C(=O)N2

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CC2C(=O)NC3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C18H16N2O4/c21-16(24-11-12-6-2-1-3-7-12)10-15-18(23)19-14-9-5-4-8-13(14)17(22)20-15/h1-9,15H,10-11H2,(H,19,23)(H,20,22)