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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NC2=CC=CC=C2C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C=C1C(=O)NC2=CC=CC=C2C(=O)[O-])[N+](=O)[O-]

InChI

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