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

Systemtic Name: O2-ethyl O4-[2-[(4-fluoranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-ethyl O4-[2-(4-fluoro-3-nitro-anilino)-2-oxo-ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-ethyl ester O4-[2-(4-fluoro-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: 2-O-ethyl 4-O-[2-(4-fluoro-3-nitroanilino)-2-oxoethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-ethyl ester O4-[2-(4-fluoro-3-nitro-anilino)-2-keto-ethyl] ester Formula: C18H18FN3O7 MolecularWeight: 407.349823

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCC(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCC(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-])C

InChI

InChI=1S/C18H18FN3O7/c1-4-28-18(25)16-9(2)15(10(3)20-16)17(24)29-8-14(23)21-11-5-6-12(19)13(7-11)22(26)27/h5-7,20H,4,8H2,1-3H3,(H,21,23)