[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-methylquinoline-4-carboxylate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-methylquinoline-4-carboxylate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 2-methylquinoline-4-carboxylate CAS Name: 2-methyl-4-quinolinecarboxylic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 2-methylquinoline-4-carboxylate Traditional Name: 2-methylcinchoninic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C17H15N3O3 MolecularWeight: 309.3193

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)[C@H](C#N)C(=N)C

InChI

InChI=1S/C17H15N3O3/c1-10-7-13(12-5-3-4-6-15(12)20-10)17(22)23-9-16(21)14(8-18)11(2)19/h3-7,14,19H,9H2,1-2H3/t14-/m1/s1