[2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-pyridin-2-ylquinoline-4-carboxylate

Systemtic Name: [2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-pyridin-2-ylquinoline-4-carboxylate Openeye Name: [2-(4,5-dimethyl-2-nitro-anilino)-2-oxo-ethyl] 2-(2-pyridyl)quinoline-4-carboxylate CAS Name: 2-(2-pyridinyl)-4-quinolinecarboxylic acid [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] 2-pyridin-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-pyridyl)cinchoninic acid [2-(4,5-dimethyl-2-nitro-anilino)-2-keto-ethyl] ester Formula: C25H20N4O5 MolecularWeight: 456.4501

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=N4

Isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=N4

InChI

InChI=1S/C25H20N4O5/c1-15-11-22(23(29(32)33)12-16(15)2)28-24(30)14-34-25(31)18-13-21(20-9-5-6-10-26-20)27-19-8-4-3-7-17(18)19/h3-13H,14H2,1-2H3,(H,28,30)