[2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 6-methyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: [2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 6-methyl-2-phenyl-quinoline-4-carboxylate Openeye Name: [2-(2-cyano-4-nitro-anilino)-2-oxo-ethyl] 6-methyl-2-phenyl-quinoline-4-carboxylate CAS Name: 6-methyl-2-phenyl-4-quinolinecarboxylic acid [2-(2-cyano-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyano-4-nitroanilino)-2-oxoethyl] 6-methyl-2-phenylquinoline-4-carboxylate Traditional Name: 6-methyl-2-phenyl-cinchoninic acid [2-(2-cyano-4-nitro-anilino)-2-keto-ethyl] ester Formula: C26H18N4O5 MolecularWeight: 466.44492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N)C4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N)C4=CC=CC=C4

InChI

InChI=1S/C26H18N4O5/c1-16-7-9-23-20(11-16)21(13-24(28-23)17-5-3-2-4-6-17)26(32)35-15-25(31)29-22-10-8-19(30(33)34)12-18(22)14-27/h2-13H,15H2,1H3,(H,29,31)