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

Systemtic Name: [2-[1-(2-cyanoethyl)indol-3-yl]-2-oxidanylidene-ethyl] 1,4-bis(oxidanyl)naphthalene-2-carboxylate Openeye Name: [2-[1-(2-cyanoethyl)indol-3-yl]-2-oxo-ethyl] 1,4-dihydroxynaphthalene-2-carboxylate CAS Name: 1,4-dihydroxy-2-naphthalenecarboxylic acid [2-[1-(2-cyanoethyl)-3-indolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(2-cyanoethyl)indol-3-yl]-2-oxoethyl] 1,4-dihydroxynaphthalene-2-carboxylate Traditional Name: 1,4-dihydroxynaphthalene-2-carboxylic acid [2-[1-(2-cyanoethyl)indol-3-yl]-2-keto-ethyl] ester Formula: C24H18N2O5 MolecularWeight: 414.41012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=C2O)C(=O)OCC(=O)C3=CN(C4=CC=CC=C43)CCC#N)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=C2O)C(=O)OCC(=O)C3=CN(C4=CC=CC=C43)CCC#N)O

InChI

InChI=1S/C24H18N2O5/c25-10-5-11-26-13-19(15-6-3-4-9-20(15)26)22(28)14-31-24(30)18-12-21(27)16-7-1-2-8-17(16)23(18)29/h1-4,6-9,12-13,27,29H,5,11,14H2