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

Systemtic Name: 2-[1-(4-nitrophenyl)pyrrol-2-yl]ethanoic acid Openeye Name: 2-[1-(4-nitrophenyl)pyrrol-2-yl]acetic acid CAS Name: 2-[1-(4-nitrophenyl)-2-pyrrolyl]acetic acid IUPAC Name: 2-[1-(4-nitrophenyl)pyrrol-2-yl]acetic acid Traditional Name: 2-[1-(4-nitrophenyl)pyrrol-2-yl]acetic acid Formula: C12H10N2O4 MolecularWeight: 246.2188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10N2O4/c15-12(16)8-11-2-1-7-13(11)9-3-5-10(6-4-9)14(17)18/h1-7H,8H2,(H,15,16)