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

Systemtic Name: [2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanoate Openeye Name: [2-(3,4-dimethoxyanilino)-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-(3,4-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyanilino)-2-oxoethyl] 3-(3-oxo-1,4-benzoxazin-4-yl)propanoate Traditional Name: 3-(3-keto-1,4-benzoxazin-4-yl)propionic acid [2-(3,4-dimethoxyanilino)-2-keto-ethyl] ester Formula: C21H22N2O7 MolecularWeight: 414.40858

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)COC(=O)CCN2C(=O)COC3=CC=CC=C32)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)COC(=O)CCN2C(=O)COC3=CC=CC=C32)OC

InChI

InChI=1S/C21H22N2O7/c1-27-17-8-7-14(11-18(17)28-2)22-19(24)12-30-21(26)9-10-23-15-5-3-4-6-16(15)29-13-20(23)25/h3-8,11H,9-10,12-13H2,1-2H3,(H,22,24)