5-[[(1S,2R)-2-methylcyclohexyl]amino]-2-nitro-benzoate

Systemtic Name: 5-[[(1S,2R)-2-methylcyclohexyl]amino]-2-nitro-benzoate Openeye Name: 5-[[(1S,2R)-2-methylcyclohexyl]amino]-2-nitro-benzoate CAS Name: 5-[[(1S,2R)-2-methylcyclohexyl]amino]-2-nitrobenzoate IUPAC Name: 5-[[(1S,2R)-2-methylcyclohexyl]amino]-2-nitrobenzoate Traditional Name: 5-[[(1S,2R)-2-methylcyclohexyl]amino]-2-nitro-benzoate Formula: C14H17N2O4- MolecularWeight: 277.29578

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

C[C@@H]1CCCC[C@@H]1NC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C14H18N2O4/c1-9-4-2-3-5-12(9)15-10-6-7-13(16(19)20)11(8-10)14(17)18/h6-9,12,15H,2-5H2,1H3,(H,17,18)/p-1/t9-,12+/m1/s1