[2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate

Systemtic Name: [2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate Openeye Name: [2-(2-methoxy-5-nitro-anilino)-2-oxo-ethyl] 2-(5-methyl-2-furyl)quinoline-4-carboxylate CAS Name: 2-(5-methyl-2-furanyl)-4-quinolinecarboxylic acid [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate Traditional Name: 2-(5-methyl-2-furyl)cinchoninic acid [2-keto-2-(2-methoxy-5-nitro-anilino)ethyl] ester Formula: C24H19N3O7 MolecularWeight: 461.42356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])OC

Isomeric SMILES

CC1=CC=C(O1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C24H19N3O7/c1-14-7-9-22(34-14)20-12-17(16-5-3-4-6-18(16)25-20)24(29)33-13-23(28)26-19-11-15(27(30)31)8-10-21(19)32-2/h3-12H,13H2,1-2H3,(H,26,28)