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

Systemtic Name: (1S,2R)-2-[[(4-chloranyl-3-nitro-phenyl)carbonylamino]carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: (1S,2R)-2-[[(4-chloro-3-nitro-benzoyl)amino]carbamoyl]cyclohexanecarboxylic acid CAS Name: (1S,2R)-2-[[[(4-chloro-3-nitrophenyl)-oxomethyl]hydrazo]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1S,2R)-2-[[(4-chloro-3-nitrobenzoyl)amino]carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: (1S,2R)-2-[[(4-chloro-3-nitro-benzoyl)amino]carbamoyl]cyclohexanecarboxylic acid Formula: C15H16ClN3O6 MolecularWeight: 369.75704

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CC[C@@H]([C@@H](C1)C(=O)NNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C15H16ClN3O6/c16-11-6-5-8(7-12(11)19(24)25)13(20)17-18-14(21)9-3-1-2-4-10(9)15(22)23/h5-7,9-10H,1-4H2,(H,17,20)(H,18,21)(H,22,23)/t9-,10+/m1/s1