methyl 3-[(4-nitro-1H-pyrrol-2-yl)carbonylamino]benzoate

Systemtic Name: methyl 3-[(4-nitro-1H-pyrrol-2-yl)carbonylamino]benzoate Openeye Name: methyl 3-[(4-nitro-1H-pyrrole-2-carbonyl)amino]benzoate CAS Name: 3-[[(4-nitro-1H-pyrrol-2-yl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(4-nitro-1H-pyrrole-2-carbonyl)amino]benzoate Traditional Name: 3-[(4-nitro-1H-pyrrole-2-carbonyl)amino]benzoic acid methyl ester Formula: C13H11N3O5 MolecularWeight: 289.24354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)C2=CC(=CN2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)C2=CC(=CN2)[N+](=O)[O-]

InChI

InChI=1S/C13H11N3O5/c1-21-13(18)8-3-2-4-9(5-8)15-12(17)11-6-10(7-14-11)16(19)20/h2-7,14H,1H3,(H,15,17)