4-[2-[(1-methyl-4-nitro-pyrrol-2-yl)carbonylamino]ethyl]benzoic acid

Systemtic Name: 4-[2-[(1-methyl-4-nitro-pyrrol-2-yl)carbonylamino]ethyl]benzoic acid Openeye Name: 4-[2-[(1-methyl-4-nitro-pyrrole-2-carbonyl)amino]ethyl]benzoic acid CAS Name: 4-[2-[[(1-methyl-4-nitro-2-pyrrolyl)-oxomethyl]amino]ethyl]benzoic acid IUPAC Name: 4-[2-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]ethyl]benzoic acid Traditional Name: 4-[2-[(1-methyl-4-nitro-pyrrole-2-carbonyl)amino]ethyl]benzoic acid Formula: C15H15N3O5 MolecularWeight: 317.2967

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NCCC2=CC=C(C=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C=C1C(=O)NCCC2=CC=C(C=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C15H15N3O5/c1-17-9-12(18(22)23)8-13(17)14(19)16-7-6-10-2-4-11(5-3-10)15(20)21/h2-5,8-9H,6-7H2,1H3,(H,16,19)(H,20,21)