methyl 2-[(1-methyl-5-nitro-pyrrol-2-yl)carbonylamino]-3-oxidanyl-propanoate

Systemtic Name: methyl 2-[(1-methyl-5-nitro-pyrrol-2-yl)carbonylamino]-3-oxidanyl-propanoate Openeye Name: methyl 3-hydroxy-2-[(1-methyl-5-nitro-pyrrole-2-carbonyl)amino]propanoate CAS Name: 3-hydroxy-2-[[(1-methyl-5-nitro-2-pyrrolyl)-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-hydroxy-2-[(1-methyl-5-nitropyrrole-2-carbonyl)amino]propanoate Traditional Name: 3-hydroxy-2-[(1-methyl-5-nitro-pyrrole-2-carbonyl)amino]propionic acid methyl ester Formula: C10H13N3O6 MolecularWeight: 271.22672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=C1[N+](=O)[O-])C(=O)NC(CO)C(=O)OC

Isomeric SMILES

CN1C(=CC=C1[N+](=O)[O-])C(=O)NC(CO)C(=O)OC

InChI

InChI=1S/C10H13N3O6/c1-12-7(3-4-8(12)13(17)18)9(15)11-6(5-14)10(16)19-2/h3-4,6,14H,5H2,1-2H3,(H,11,15)