3-[3-(4-nitrophenyl)-1H-pyrrol-2-yl]propanoic acid

Systemtic Name: 3-[3-(4-nitrophenyl)-1H-pyrrol-2-yl]propanoic acid Openeye Name: 3-[3-(4-nitrophenyl)-1H-pyrrol-2-yl]propanoic acid CAS Name: 3-[3-(4-nitrophenyl)-1H-pyrrol-2-yl]propanoic acid IUPAC Name: 3-[3-(4-nitrophenyl)-1H-pyrrol-2-yl]propanoic acid Traditional Name: 3-[3-(4-nitrophenyl)-1H-pyrrol-2-yl]propionic acid Formula: C13H12N2O4 MolecularWeight: 260.24538

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(NC=C2)CCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=C(NC=C2)CCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H12N2O4/c16-13(17)6-5-12-11(7-8-14-12)9-1-3-10(4-2-9)15(18)19/h1-4,7-8,14H,5-6H2,(H,16,17)