[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxidanylidene-ethyl] 3,4,5-tris(oxidanyl)benzoate

Systemtic Name: [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxidanylidene-ethyl] 3,4,5-tris(oxidanyl)benzoate Openeye Name: [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxo-ethyl] 3,4,5-trihydroxybenzoate CAS Name: 3,4,5-trihydroxybenzoic acid [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 3,4,5-trihydroxybenzoate Traditional Name: 3,4,5-trihydroxybenzoic acid [2-[(4-carbomethoxybenzyl)amino]-2-keto-ethyl] ester Formula: C18H17NO8 MolecularWeight: 375.32948

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)COC(=O)C2=CC(=C(C(=C2)O)O)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)COC(=O)C2=CC(=C(C(=C2)O)O)O

InChI

InChI=1S/C18H17NO8/c1-26-17(24)11-4-2-10(3-5-11)8-19-15(22)9-27-18(25)12-6-13(20)16(23)14(21)7-12/h2-7,20-21,23H,8-9H2,1H3,(H,19,22)