1-[(4-fluorophenyl)methyl]-5-methyl-4-nitro-pyrrole-2-carboxylic acid

Systemtic Name: 1-[(4-fluorophenyl)methyl]-5-methyl-4-nitro-pyrrole-2-carboxylic acid Openeye Name: 1-[(4-fluorophenyl)methyl]-5-methyl-4-nitro-pyrrole-2-carboxylic acid CAS Name: 1-[(4-fluorophenyl)methyl]-5-methyl-4-nitro-2-pyrrolecarboxylic acid IUPAC Name: 1-[(4-fluorophenyl)methyl]-5-methyl-4-nitropyrrole-2-carboxylic acid Traditional Name: 1-(4-fluorobenzyl)-5-methyl-4-nitro-pyrrole-2-carboxylic acid Formula: C13H11FN2O4 MolecularWeight: 278.235843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1CC2=CC=C(C=C2)F)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(N1CC2=CC=C(C=C2)F)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H11FN2O4/c1-8-11(16(19)20)6-12(13(17)18)15(8)7-9-2-4-10(14)5-3-9/h2-6H,7H2,1H3,(H,17,18)