[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 1-(2,5-dimethylphenyl)-6-oxidanylidene-4,5-dihydropyridazine-3-carboxylate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 1-(2,5-dimethylphenyl)-6-oxidanylidene-4,5-dihydropyridazine-3-carboxylate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxylate CAS Name: 1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxylate Traditional Name: 1-(2,5-dimethylphenyl)-6-keto-4,5-dihydropyridazine-3-carboxylic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C19H20N4O4 MolecularWeight: 368.3865

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=O)CCC(=N2)C(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=O)CCC(=N2)C(=O)OCC(=O)[C@H](C#N)C(=N)C

InChI

InChI=1S/C19H20N4O4/c1-11-4-5-12(2)16(8-11)23-18(25)7-6-15(22-23)19(26)27-10-17(24)14(9-20)13(3)21/h4-5,8,14,21H,6-7,10H2,1-3H3/t14-/m1/s1