2-(2,5-dimethylpyrrol-1-yl)-5-nitro-benzoic acid

Systemtic Name: 2-(2,5-dimethylpyrrol-1-yl)-5-nitro-benzoic acid Openeye Name: 2-(2,5-dimethylpyrrol-1-yl)-5-nitro-benzoic acid CAS Name: 2-(2,5-dimethyl-1-pyrrolyl)-5-nitrobenzoic acid IUPAC Name: 2-(2,5-dimethylpyrrol-1-yl)-5-nitrobenzoic acid Traditional Name: 2-(2,5-dimethylpyrrol-1-yl)-5-nitro-benzoic acid Formula: C13H12N2O4 MolecularWeight: 260.24538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O)C

Isomeric SMILES

CC1=CC=C(N1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O)C

InChI

InChI=1S/C13H12N2O4/c1-8-3-4-9(2)14(8)12-6-5-10(15(18)19)7-11(12)13(16)17/h3-7H,1-2H3,(H,16,17)