2-[3-(4-nitrophenyl)carbonylpyrrol-1-yl]ethanoic acid

Systemtic Name: 2-[3-(4-nitrophenyl)carbonylpyrrol-1-yl]ethanoic acid Openeye Name: 2-[3-(4-nitrobenzoyl)pyrrol-1-yl]acetic acid CAS Name: 2-[3-[(4-nitrophenyl)-oxomethyl]-1-pyrrolyl]acetic acid IUPAC Name: 2-[3-(4-nitrobenzoyl)pyrrol-1-yl]acetic acid Traditional Name: 2-[3-(4-nitrobenzoyl)pyrrol-1-yl]acetic acid Formula: C13H10N2O5 MolecularWeight: 274.2289

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)C2=CN(C=C2)CC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)C2=CN(C=C2)CC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H10N2O5/c16-12(17)8-14-6-5-10(7-14)13(18)9-1-3-11(4-2-9)15(19)20/h1-7H,8H2,(H,16,17)