methyl 2-(2-nitropyrrol-1-yl)benzoate

Systemtic Name: methyl 2-(2-nitropyrrol-1-yl)benzoate Openeye Name: methyl 2-(2-nitropyrrol-1-yl)benzoate CAS Name: 2-(2-nitro-1-pyrrolyl)benzoic acid methyl ester IUPAC Name: methyl 2-(2-nitropyrrol-1-yl)benzoate Traditional Name: 2-(2-nitropyrrol-1-yl)benzoic acid methyl ester Formula: C12H10N2O4 MolecularWeight: 246.2188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1N2C=CC=C2[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=CC=C1N2C=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C12H10N2O4/c1-18-12(15)9-5-2-3-6-10(9)13-8-4-7-11(13)14(16)17/h2-8H,1H3