[2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2,4-dimethylquinoline-3-carboxylate

Systemtic Name: [2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2,4-dimethylquinoline-3-carboxylate Openeye Name: [2-(2-cyano-4-nitro-anilino)-2-oxo-ethyl] 2,4-dimethylquinoline-3-carboxylate CAS Name: 2,4-dimethyl-3-quinolinecarboxylic acid [2-(2-cyano-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyano-4-nitroanilino)-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate Traditional Name: 2,4-dimethylquinoline-3-carboxylic acid [2-(2-cyano-4-nitro-anilino)-2-keto-ethyl] ester Formula: C21H16N4O5 MolecularWeight: 404.37554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)C)C(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)C)C(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C21H16N4O5/c1-12-16-5-3-4-6-18(16)23-13(2)20(12)21(27)30-11-19(26)24-17-8-7-15(25(28)29)9-14(17)10-22/h3-9H,11H2,1-2H3,(H,24,26)