[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 3,4,5-tris(oxidanyl)benzoate

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 3,4,5-tris(oxidanyl)benzoate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 3,4,5-trihydroxybenzoate CAS Name: 3,4,5-trihydroxybenzoic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 3,4,5-trihydroxybenzoate Traditional Name: 3,4,5-trihydroxybenzoic acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C16H12N2O6 MolecularWeight: 328.27628

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)COC(=O)C2=CC(=C(C(=C2)O)O)O)C#N

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)COC(=O)C2=CC(=C(C(=C2)O)O)O)C#N

InChI

InChI=1S/C16H12N2O6/c17-7-9-2-1-3-11(4-9)18-14(21)8-24-16(23)10-5-12(19)15(22)13(20)6-10/h1-6,19-20,22H,8H2,(H,18,21)