[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxidanylidene-ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate

Systemtic Name: [2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxidanylidene-ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate Openeye Name: [2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxo-ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate CAS Name: 1-methyl-4-nitro-2-pyrrolecarboxylic acid [2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl] 1-methyl-4-nitropyrrole-2-carboxylate Traditional Name: 1-methyl-4-nitro-pyrrole-2-carboxylic acid [2-[cyclohexyl-(4-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C21H24FN3O5 MolecularWeight: 417.430763

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)OCC(=O)N(CC2=CC=C(C=C2)F)C3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C=C1C(=O)OCC(=O)N(CC2=CC=C(C=C2)F)C3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H24FN3O5/c1-23-13-18(25(28)29)11-19(23)21(27)30-14-20(26)24(17-5-3-2-4-6-17)12-15-7-9-16(22)10-8-15/h7-11,13,17H,2-6,12,14H2,1H3