4-methyl-1-[(4-nitro-1H-pyrrol-2-yl)carbonylamino]cyclohexane-1-carboxylic acid

Systemtic Name: 4-methyl-1-[(4-nitro-1H-pyrrol-2-yl)carbonylamino]cyclohexane-1-carboxylic acid Openeye Name: 4-methyl-1-[(4-nitro-1H-pyrrole-2-carbonyl)amino]cyclohexanecarboxylic acid CAS Name: 4-methyl-1-[[(4-nitro-1H-pyrrol-2-yl)-oxomethyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-methyl-1-[(4-nitro-1H-pyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid Traditional Name: 4-methyl-1-[(4-nitro-1H-pyrrole-2-carbonyl)amino]cyclohexanecarboxylic acid Formula: C13H17N3O5 MolecularWeight: 295.29118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)(C(=O)O)NC(=O)C2=CC(=CN2)[N+](=O)[O-]

Isomeric SMILES

CC1CCC(CC1)(C(=O)O)NC(=O)C2=CC(=CN2)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O5/c1-8-2-4-13(5-3-8,12(18)19)15-11(17)10-6-9(7-14-10)16(20)21/h6-8,14H,2-5H2,1H3,(H,15,17)(H,18,19)