[2-[(4-methoxyphenyl)carbonylamino]-2-oxidanylidene-ethyl] 3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoate

Systemtic Name: [2-[(4-methoxyphenyl)carbonylamino]-2-oxidanylidene-ethyl] 3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoate Openeye Name: [2-[(4-methoxybenzoyl)amino]-2-oxo-ethyl] 3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoate CAS Name: 3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoic acid [2-[[(4-methoxyphenyl)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methoxybenzoyl)amino]-2-oxoethyl] 3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoate Traditional Name: 3-(4-keto-1,2,3-benzotriazin-3-yl)propionic acid [2-keto-2-(p-anisoylamino)ethyl] ester Formula: C20H18N4O6 MolecularWeight: 410.38012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC(=O)COC(=O)CCN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC(=O)COC(=O)CCN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C20H18N4O6/c1-29-14-8-6-13(7-9-14)19(27)21-17(25)12-30-18(26)10-11-24-20(28)15-4-2-3-5-16(15)22-23-24/h2-9H,10-12H2,1H3,(H,21,25,27)