[2-[(2-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: [2-[(2-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: [2-(2-methyl-3-nitro-anilino)-2-oxo-ethyl] 1-(4-fluorophenyl)-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-(4-fluorophenyl)-2,5-dimethyl-3-pyrrolecarboxylic acid [2-(2-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-3-nitroanilino)-2-oxoethyl] 1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-(4-fluorophenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid [2-keto-2-(2-methyl-3-nitro-anilino)ethyl] ester Formula: C22H20FN3O5 MolecularWeight: 425.409703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C(=O)OCC(=O)NC3=C(C(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C(=O)OCC(=O)NC3=C(C(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C22H20FN3O5/c1-13-11-18(15(3)25(13)17-9-7-16(23)8-10-17)22(28)31-12-21(27)24-19-5-4-6-20(14(19)2)26(29)30/h4-11H,12H2,1-3H3,(H,24,27)