4-[[(1R,2R)-2-methylcyclohexyl]amino]-3-nitro-benzoate

Systemtic Name: 4-[[(1R,2R)-2-methylcyclohexyl]amino]-3-nitro-benzoate Openeye Name: 4-[[(1R,2R)-2-methylcyclohexyl]amino]-3-nitro-benzoate CAS Name: 4-[[(1R,2R)-2-methylcyclohexyl]amino]-3-nitrobenzoate IUPAC Name: 4-[[(1R,2R)-2-methylcyclohexyl]amino]-3-nitrobenzoate Traditional Name: 4-[[(1R,2R)-2-methylcyclohexyl]amino]-3-nitro-benzoate Formula: C14H17N2O4- MolecularWeight: 277.29578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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