3-(1H-imidazol-5-yl)-2-[(1-methyl-4-nitro-pyrrol-2-yl)carbonylamino]propanoic acid

Systemtic Name: 3-(1H-imidazol-5-yl)-2-[(1-methyl-4-nitro-pyrrol-2-yl)carbonylamino]propanoic acid Openeye Name: 3-(1H-imidazol-5-yl)-2-[(1-methyl-4-nitro-pyrrole-2-carbonyl)amino]propanoic acid CAS Name: 3-(1H-imidazol-5-yl)-2-[[(1-methyl-4-nitro-2-pyrrolyl)-oxomethyl]amino]propanoic acid IUPAC Name: 3-(1H-imidazol-5-yl)-2-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]propanoic acid Traditional Name: 3-(1H-imidazol-5-yl)-2-[(1-methyl-4-nitro-pyrrole-2-carbonyl)amino]propionic acid Formula: C12H13N5O5 MolecularWeight: 307.26212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NC(CC2=CN=CN2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C=C1C(=O)NC(CC2=CN=CN2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H13N5O5/c1-16-5-8(17(21)22)3-10(16)11(18)15-9(12(19)20)2-7-4-13-6-14-7/h3-6,9H,2H2,1H3,(H,13,14)(H,15,18)(H,19,20)