4-[(1-methyl-5-nitro-pyrrol-2-yl)carbonylamino]benzoate

Systemtic Name: 4-[(1-methyl-5-nitro-pyrrol-2-yl)carbonylamino]benzoate Openeye Name: 4-[(1-methyl-5-nitro-pyrrole-2-carbonyl)amino]benzoate CAS Name: 4-[[(1-methyl-5-nitro-2-pyrrolyl)-oxomethyl]amino]benzoate IUPAC Name: 4-[(1-methyl-5-nitropyrrole-2-carbonyl)amino]benzoate Traditional Name: 4-[(1-methyl-5-nitro-pyrrole-2-carbonyl)amino]benzoate Formula: C13H10N3O5- MolecularWeight: 288.2356

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=C1[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CN1C(=CC=C1[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)C(=O)[O-]

InChI

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