[2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-ethyl-2-propyl-quinoline-4-carboxylate

Systemtic Name: [2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-ethyl-2-propyl-quinoline-4-carboxylate Openeye Name: [2-(4-methyl-2-nitro-anilino)-2-oxo-1-phenyl-ethyl] 3-ethyl-2-propyl-quinoline-4-carboxylate CAS Name: 3-ethyl-2-propyl-4-quinolinecarboxylic acid [2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] 3-ethyl-2-propylquinoline-4-carboxylate Traditional Name: 3-ethyl-2-propyl-cinchoninic acid [2-keto-2-(4-methyl-2-nitro-anilino)-1-phenyl-ethyl] ester Formula: C30H29N3O5 MolecularWeight: 511.56836

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC=CC=C2C(=C1CC)C(=O)OC(C3=CC=CC=C3)C(=O)NC4=C(C=C(C=C4)C)[N+](=O)[O-]

Isomeric SMILES

CCCC1=NC2=CC=CC=C2C(=C1CC)C(=O)OC(C3=CC=CC=C3)C(=O)NC4=C(C=C(C=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C30H29N3O5/c1-4-11-23-21(5-2)27(22-14-9-10-15-24(22)31-23)30(35)38-28(20-12-7-6-8-13-20)29(34)32-25-17-16-19(3)18-26(25)33(36)37/h6-10,12-18,28H,4-5,11H2,1-3H3,(H,32,34)