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

Systemtic Name: O4-ethyl O2-[1-[(4-fluoranyl-3-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O4-ethyl O2-[2-(4-fluoro-3-nitro-anilino)-1-methyl-2-oxo-ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-ethyl ester O2-[1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: 4-O-ethyl 2-O-[1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-ethyl ester O2-[2-(4-fluoro-3-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C19H20FN3O7 MolecularWeight: 421.376403

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)OC(C)C(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)OC(C)C(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-])C

InChI

InChI=1S/C19H20FN3O7/c1-5-29-18(25)15-9(2)16(21-10(15)3)19(26)30-11(4)17(24)22-12-6-7-13(20)14(8-12)23(27)28/h6-8,11,21H,5H2,1-4H3,(H,22,24)