[2-[(3-fluoranyl-4-methoxy-phenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate

Systemtic Name: [2-[(3-fluoranyl-4-methoxy-phenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate Openeye Name: [2-[(3-fluoro-4-methoxy-phenyl)methyl-methyl-amino]-2-oxo-ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate CAS Name: 1-methyl-4-nitro-2-pyrrolecarboxylic acid [2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 1-methyl-4-nitropyrrole-2-carboxylate Traditional Name: 1-methyl-4-nitro-pyrrole-2-carboxylic acid [2-[(3-fluoro-4-methoxy-benzyl)-methyl-amino]-2-keto-ethyl] ester Formula: C17H18FN3O6 MolecularWeight: 379.339723

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)OCC(=O)N(C)CC2=CC(=C(C=C2)OC)F)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C=C1C(=O)OCC(=O)N(C)CC2=CC(=C(C=C2)OC)F)[N+](=O)[O-]

InChI

InChI=1S/C17H18FN3O6/c1-19-9-12(21(24)25)7-14(19)17(23)27-10-16(22)20(2)8-11-4-5-15(26-3)13(18)6-11/h4-7,9H,8,10H2,1-3H3