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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O4/c1-9-4-2-3-5-12(9)15-13-7-6-10(16(19)20)8-11(13)14(17)18/h6-9,12,15H,2-5H2,1H3,(H,17,18)/p-1/t9-,12+/m0/s1