2-(2,5-dimethylpyrrol-1-yl)-4-nitro-phenolate

Systemtic Name: 2-(2,5-dimethylpyrrol-1-yl)-4-nitro-phenolate Openeye Name: 2-(2,5-dimethylpyrrol-1-yl)-4-nitro-phenolate CAS Name: 2-(2,5-dimethyl-1-pyrrolyl)-4-nitrophenolate IUPAC Name: 2-(2,5-dimethylpyrrol-1-yl)-4-nitrophenolate Traditional Name: 2-(2,5-dimethylpyrrol-1-yl)-4-nitro-phenolate Formula: C12H11N2O3- MolecularWeight: 231.22734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O3/c1-8-3-4-9(2)13(8)11-7-10(14(16)17)5-6-12(11)15/h3-7,15H,1-2H3/p-1