[2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 7-fluoranyl-2-methyl-quinoline-3-carboxylate

Systemtic Name: [2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 7-fluoranyl-2-methyl-quinoline-3-carboxylate Openeye Name: [2-(4-methyl-3-nitro-anilino)-2-oxo-ethyl] 7-fluoro-2-methyl-quinoline-3-carboxylate CAS Name: 7-fluoro-2-methyl-3-quinolinecarboxylic acid [2-(4-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitroanilino)-2-oxoethyl] 7-fluoro-2-methylquinoline-3-carboxylate Traditional Name: 7-fluoro-2-methyl-quinoline-3-carboxylic acid [2-keto-2-(4-methyl-3-nitro-anilino)ethyl] ester Formula: C20H16FN3O5 MolecularWeight: 397.356543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=C(N=C3C=C(C=CC3=C2)F)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=C(N=C3C=C(C=CC3=C2)F)C)[N+](=O)[O-]

InChI

InChI=1S/C20H16FN3O5/c1-11-3-6-15(9-18(11)24(27)28)23-19(25)10-29-20(26)16-7-13-4-5-14(21)8-17(13)22-12(16)2/h3-9H,10H2,1-2H3,(H,23,25)