[2-[1-(2-cyanoethyl)indol-3-yl]-2-oxidanylidene-ethyl] 2,4-bis(oxidanyl)benzoate

Systemtic Name: [2-[1-(2-cyanoethyl)indol-3-yl]-2-oxidanylidene-ethyl] 2,4-bis(oxidanyl)benzoate Openeye Name: [2-[1-(2-cyanoethyl)indol-3-yl]-2-oxo-ethyl] 2,4-dihydroxybenzoate CAS Name: 2,4-dihydroxybenzoic acid [2-[1-(2-cyanoethyl)-3-indolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(2-cyanoethyl)indol-3-yl]-2-oxoethyl] 2,4-dihydroxybenzoate Traditional Name: 2,4-dihydroxybenzoic acid [2-[1-(2-cyanoethyl)indol-3-yl]-2-keto-ethyl] ester Formula: C20H16N2O5 MolecularWeight: 364.35144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CCC#N)C(=O)COC(=O)C3=C(C=C(C=C3)O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CCC#N)C(=O)COC(=O)C3=C(C=C(C=C3)O)O

InChI

InChI=1S/C20H16N2O5/c21-8-3-9-22-11-16(14-4-1-2-5-17(14)22)19(25)12-27-20(26)15-7-6-13(23)10-18(15)24/h1-2,4-7,10-11,23-24H,3,9,12H2