[2-[(2-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate

Systemtic Name: [2-[(2-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate Openeye Name: [2-(2-methyl-3-nitro-anilino)-2-oxo-ethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate CAS Name: 3-(4-fluorophenyl)-4-imidazolecarboxylic acid [2-(2-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-3-nitroanilino)-2-oxoethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate Traditional Name: 3-(4-fluorophenyl)imidazole-4-carboxylic acid [2-keto-2-(2-methyl-3-nitro-anilino)ethyl] ester Formula: C19H15FN4O5 MolecularWeight: 398.344603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)COC(=O)C2=CN=CN2C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)COC(=O)C2=CN=CN2C3=CC=C(C=C3)F

InChI

InChI=1S/C19H15FN4O5/c1-12-15(3-2-4-16(12)24(27)28)22-18(25)10-29-19(26)17-9-21-11-23(17)14-7-5-13(20)6-8-14/h2-9,11H,10H2,1H3,(H,22,25)