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

Systemtic Name: 2-[(1-ethyl-4-nitro-pyrrol-2-yl)carbonylamino]-4-methyl-pentanoic acid Openeye Name: 2-[(1-ethyl-4-nitro-pyrrole-2-carbonyl)amino]-4-methyl-pentanoic acid CAS Name: 2-[[(1-ethyl-4-nitro-2-pyrrolyl)-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[(1-ethyl-4-nitropyrrole-2-carbonyl)amino]-4-methylpentanoic acid Traditional Name: 2-[(1-ethyl-4-nitro-pyrrole-2-carbonyl)amino]-4-methyl-valeric acid Formula: C13H19N3O5 MolecularWeight: 297.30706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=C1C(=O)NC(CC(C)C)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCN1C=C(C=C1C(=O)NC(CC(C)C)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H19N3O5/c1-4-15-7-9(16(20)21)6-11(15)12(17)14-10(13(18)19)5-8(2)3/h6-8,10H,4-5H2,1-3H3,(H,14,17)(H,18,19)