(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-[3-(4-methoxyphenyl)propanoylamino]benzoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-[3-(4-methoxyphenyl)propanoylamino]benzoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-[3-(4-methoxyphenyl)propanoylamino]benzoate CAS Name: 2-[[3-(4-methoxyphenyl)-1-oxopropyl]amino]benzoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-[3-(4-methoxyphenyl)propanoylamino]benzoate Traditional Name: 2-[3-(4-methoxyphenyl)propanoylamino]benzoic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C25H22N4O5 MolecularWeight: 458.46598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC(=O)NC2=CC=CC=C2C(=O)OCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

COC1=CC=C(C=C1)CCC(=O)NC2=CC=CC=C2C(=O)OCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C25H22N4O5/c1-33-18-13-10-17(11-14-18)12-15-23(30)26-21-8-4-3-7-20(21)25(32)34-16-29-24(31)19-6-2-5-9-22(19)27-28-29/h2-11,13-14H,12,15-16H2,1H3,(H,26,30)