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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20FN3O7/c1-9(2)30-18(25)16-10(3)17(21-11(16)4)19(26)29-8-15(24)22-12-5-6-13(20)14(7-12)23(27)28/h5-7,9,21H,8H2,1-4H3,(H,22,24)