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

Systemtic Name: 4-[[(4-nitro-1H-pyrrol-2-yl)carbonylamino]methyl]benzoate Openeye Name: 4-[[(4-nitro-1H-pyrrole-2-carbonyl)amino]methyl]benzoate CAS Name: 4-[[[(4-nitro-1H-pyrrol-2-yl)-oxomethyl]amino]methyl]benzoate IUPAC Name: 4-[[(4-nitro-1H-pyrrole-2-carbonyl)amino]methyl]benzoate Traditional Name: 4-[[(4-nitro-1H-pyrrole-2-carbonyl)amino]methyl]benzoate Formula: C13H10N3O5- MolecularWeight: 288.2356

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)C2=CC(=CN2)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)C2=CC(=CN2)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C13H11N3O5/c17-12(11-5-10(7-14-11)16(20)21)15-6-8-1-3-9(4-2-8)13(18)19/h1-5,7,14H,6H2,(H,15,17)(H,18,19)/p-1