[2-[(3-acetamidophenyl)amino]-2-oxidanylidene-ethyl] 3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanoate

Systemtic Name: [2-[(3-acetamidophenyl)amino]-2-oxidanylidene-ethyl] 3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanoate Openeye Name: [2-(3-acetamidoanilino)-2-oxo-ethyl] 3-(3-oxo-1,4-benzoxazin-4-yl)propanoate CAS Name: 3-(3-oxo-1,4-benzoxazin-4-yl)propanoic acid [2-(3-acetamidoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-acetamidoanilino)-2-oxoethyl] 3-(3-oxo-1,4-benzoxazin-4-yl)propanoate Traditional Name: 3-(3-keto-1,4-benzoxazin-4-yl)propionic acid [2-(3-acetamidoanilino)-2-keto-ethyl] ester Formula: C21H21N3O6 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC=C1)NC(=O)COC(=O)CCN2C(=O)COC3=CC=CC=C32

Isomeric SMILES

CC(=O)NC1=CC(=CC=C1)NC(=O)COC(=O)CCN2C(=O)COC3=CC=CC=C32

InChI

InChI=1S/C21H21N3O6/c1-14(25)22-15-5-4-6-16(11-15)23-19(26)12-30-21(28)9-10-24-17-7-2-3-8-18(17)29-13-20(24)27/h2-8,11H,9-10,12-13H2,1H3,(H,22,25)(H,23,26)