O2-[2-[(2-fluoranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] O4-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O2-[2-[(2-fluoranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] O4-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-[2-(2-fluoro-5-nitro-anilino)-2-oxo-ethyl] O4-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-[2-(2-fluoro-5-nitroanilino)-2-oxoethyl] ester O4-methyl ester IUPAC Name: 2-O-[2-(2-fluoro-5-nitroanilino)-2-oxoethyl] 4-O-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-[2-(2-fluoro-5-nitro-anilino)-2-keto-ethyl] ester O4-methyl ester Formula: C17H16FN3O7 MolecularWeight: 393.323243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)OCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])F

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)OCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])F

InChI

InChI=1S/C17H16FN3O7/c1-8-14(16(23)27-3)9(2)19-15(8)17(24)28-7-13(22)20-12-6-10(21(25)26)4-5-11(12)18/h4-6,19H,7H2,1-3H3,(H,20,22)