(1S,2R)-2-[[(3-methyl-4-nitro-phenyl)carbonylamino]carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: (1S,2R)-2-[[(3-methyl-4-nitro-phenyl)carbonylamino]carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: (1S,2R)-2-[[(3-methyl-4-nitro-benzoyl)amino]carbamoyl]cyclohexanecarboxylic acid CAS Name: (1S,2R)-2-[[[(3-methyl-4-nitrophenyl)-oxomethyl]hydrazo]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1S,2R)-2-[[(3-methyl-4-nitrobenzoyl)amino]carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: (1S,2R)-2-[[(3-methyl-4-nitro-benzoyl)amino]carbamoyl]cyclohexanecarboxylic acid Formula: C16H19N3O6 MolecularWeight: 349.33856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NNC(=O)C2CCCCC2C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NNC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O6/c1-9-8-10(6-7-13(9)19(24)25)14(20)17-18-15(21)11-4-2-3-5-12(11)16(22)23/h6-8,11-12H,2-5H2,1H3,(H,17,20)(H,18,21)(H,22,23)/t11-,12+/m1/s1