(1S,2R)-2-[(5-nitro-2-oxidanyl-phenyl)carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: (1S,2R)-2-[(5-nitro-2-oxidanyl-phenyl)carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: (1S,2R)-2-[(2-hydroxy-5-nitro-phenyl)carbamoyl]cyclohexanecarboxylic acid CAS Name: (1S,2R)-2-[(2-hydroxy-5-nitroanilino)-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1S,2R)-2-[(2-hydroxy-5-nitrophenyl)carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: (1S,2R)-2-[(2-hydroxy-5-nitro-phenyl)carbamoyl]cyclohexanecarboxylic acid Formula: C14H16N2O6 MolecularWeight: 308.28664

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])O)C(=O)O

Isomeric SMILES

C1CC[C@@H]([C@@H](C1)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])O)C(=O)O

InChI

InChI=1S/C14H16N2O6/c17-12-6-5-8(16(21)22)7-11(12)15-13(18)9-3-1-2-4-10(9)14(19)20/h5-7,9-10,17H,1-4H2,(H,15,18)(H,19,20)/t9-,10+/m1/s1