(1S,2S)-2-[[(3-nitrophenyl)carbonylamino]carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: (1S,2S)-2-[[(3-nitrophenyl)carbonylamino]carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: (1S,2S)-2-[[(3-nitrobenzoyl)amino]carbamoyl]cyclohexanecarboxylic acid CAS Name: (1S,2S)-2-[[[(3-nitrophenyl)-oxomethyl]hydrazo]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1S,2S)-2-[[(3-nitrobenzoyl)amino]carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: (1S,2S)-2-[[(3-nitrobenzoyl)amino]carbamoyl]cyclohexanecarboxylic acid Formula: C15H17N3O6 MolecularWeight: 335.31198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O6/c19-13(9-4-3-5-10(8-9)18(23)24)16-17-14(20)11-6-1-2-7-12(11)15(21)22/h3-5,8,11-12H,1-2,6-7H2,(H,16,19)(H,17,20)(H,21,22)/t11-,12-/m0/s1