methyl 3-nitro-4-pyrrol-1-yl-benzoate

Systemtic Name: methyl 3-nitro-4-pyrrol-1-yl-benzoate Openeye Name: methyl 3-nitro-4-pyrrol-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolyl)benzoic acid methyl ester IUPAC Name: methyl 3-nitro-4-pyrrol-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrol-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(=C(C=C1)N2C=CC=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2C=CC=C2)[N+](=O)[O-]

InChI

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