3-[[4-[(1-methyl-4-nitro-pyrrol-2-yl)carbonylamino]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[(1-methyl-4-nitro-pyrrol-2-yl)carbonylamino]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[(1-methyl-4-nitro-pyrrole-2-carbonyl)amino]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[[(1-methyl-4-nitro-2-pyrrolyl)-oxomethyl]amino]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[(1-methyl-4-nitro-pyrrole-2-carbonyl)amino]benzoyl]amino]propionic acid Formula: C16H16N4O6 MolecularWeight: 360.32144

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NC2=CC=C(C=C2)C(=O)NCCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C=C1C(=O)NC2=CC=C(C=C2)C(=O)NCCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C16H16N4O6/c1-19-9-12(20(25)26)8-13(19)16(24)18-11-4-2-10(3-5-11)15(23)17-7-6-14(21)22/h2-5,8-9H,6-7H2,1H3,(H,17,23)(H,18,24)(H,21,22)