[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-naphthalen-1-ylquinoline-4-carboxylate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-naphthalen-1-ylquinoline-4-carboxylate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 2-(1-naphthyl)quinoline-4-carboxylate CAS Name: 2-(1-naphthalenyl)-4-quinolinecarboxylic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 2-naphthalen-1-ylquinoline-4-carboxylate Traditional Name: 2-(1-naphthyl)cinchoninic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C26H19N3O3 MolecularWeight: 421.44736

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CC4=CC=CC=C43)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CC4=CC=CC=C43)/N

InChI

InChI=1S/C26H19N3O3/c1-16(28)22(14-27)25(30)15-32-26(31)21-13-24(29-23-12-5-4-10-20(21)23)19-11-6-8-17-7-2-3-9-18(17)19/h2-13H,15,28H2,1H3/b22-16+