[1-[(4-fluorophenyl)amino]-1-oxidanylidene-butan-2-yl] 1-methyl-4-nitro-pyrrole-2-carboxylate

Systemtic Name: [1-[(4-fluorophenyl)amino]-1-oxidanylidene-butan-2-yl] 1-methyl-4-nitro-pyrrole-2-carboxylate Openeye Name: 1-[(4-fluorophenyl)carbamoyl]propyl 1-methyl-4-nitro-pyrrole-2-carboxylate CAS Name: 1-methyl-4-nitro-2-pyrrolecarboxylic acid [1-(4-fluoroanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(4-fluoroanilino)-1-oxobutan-2-yl] 1-methyl-4-nitropyrrole-2-carboxylate Traditional Name: 1-methyl-4-nitro-pyrrole-2-carboxylic acid 1-[(4-fluorophenyl)carbamoyl]propyl ester Formula: C16H16FN3O5 MolecularWeight: 349.313743

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)F)OC(=O)C2=CC(=CN2C)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)F)OC(=O)C2=CC(=CN2C)[N+](=O)[O-]

InChI

InChI=1S/C16H16FN3O5/c1-3-14(15(21)18-11-6-4-10(17)5-7-11)25-16(22)13-8-12(20(23)24)9-19(13)2/h4-9,14H,3H2,1-2H3,(H,18,21)