[2-[(4-iodophenyl)amino]-2-oxidanylidene-ethyl] 2-[(E)-2-phenylethenyl]quinoline-4-carboxylate

Systemtic Name: [2-[(4-iodophenyl)amino]-2-oxidanylidene-ethyl] 2-[(E)-2-phenylethenyl]quinoline-4-carboxylate Openeye Name: [2-(4-iodoanilino)-2-oxo-ethyl] 2-[(E)-styryl]quinoline-4-carboxylate CAS Name: 2-[(E)-2-phenylethenyl]-4-quinolinecarboxylic acid [2-(4-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-iodoanilino)-2-oxoethyl] 2-[(E)-2-phenylethenyl]quinoline-4-carboxylate Traditional Name: 2-[(E)-styryl]cinchoninic acid [2-(4-iodoanilino)-2-keto-ethyl] ester Formula: C26H19IN2O3 MolecularWeight: 534.34513

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)NC4=CC=C(C=C4)I

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)NC4=CC=C(C=C4)I

InChI

InChI=1S/C26H19IN2O3/c27-19-11-14-20(15-12-19)29-25(30)17-32-26(31)23-16-21(13-10-18-6-2-1-3-7-18)28-24-9-5-4-8-22(23)24/h1-16H,17H2,(H,29,30)/b13-10+