5-nitro-2-pyrrol-1-yl-benzoic acid

Systemtic Name: 5-nitro-2-pyrrol-1-yl-benzoic acid Openeye Name: 5-nitro-2-pyrrol-1-yl-benzoic acid CAS Name: 5-nitro-2-(1-pyrrolyl)benzoic acid IUPAC Name: 5-nitro-2-pyrrol-1-ylbenzoic acid Traditional Name: 5-nitro-2-pyrrol-1-yl-benzoic acid Formula: C11H8N2O4 MolecularWeight: 232.19222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H8N2O4/c14-11(15)9-7-8(13(16)17)3-4-10(9)12-5-1-2-6-12/h1-7H,(H,14,15)