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

Systemtic Name: O4-ethyl O2-[2-[(2-fluoranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O4-ethyl O2-[2-(2-fluoro-5-nitro-anilino)-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-[2-(2-fluoro-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: 4-O-ethyl 2-O-[2-(2-fluoro-5-nitroanilino)-2-oxoethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-ethyl ester O2-[2-(2-fluoro-5-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(NC(=C1C)C(=O)OCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])F)C

Isomeric SMILES

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

InChI

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