[2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 2-naphthalen-1-ylquinoline-4-carboxylate

Systemtic Name: [2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 2-naphthalen-1-ylquinoline-4-carboxylate Openeye Name: [2-(5-chloro-2-cyano-anilino)-2-oxo-ethyl] 2-(1-naphthyl)quinoline-4-carboxylate CAS Name: 2-(1-naphthalenyl)-4-quinolinecarboxylic acid [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 2-naphthalen-1-ylquinoline-4-carboxylate Traditional Name: 2-(1-naphthyl)cinchoninic acid [2-(5-chloro-2-cyano-anilino)-2-keto-ethyl] ester Formula: C29H18ClN3O3 MolecularWeight: 491.92452

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C3=NC4=CC=CC=C4C(=C3)C(=O)OCC(=O)NC5=C(C=CC(=C5)Cl)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C3=NC4=CC=CC=C4C(=C3)C(=O)OCC(=O)NC5=C(C=CC(=C5)Cl)C#N

InChI

InChI=1S/C29H18ClN3O3/c30-20-13-12-19(16-31)26(14-20)33-28(34)17-36-29(35)24-15-27(32-25-11-4-3-9-23(24)25)22-10-5-7-18-6-1-2-8-21(18)22/h1-15H,17H2,(H,33,34)