5-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-nitro-benzoate

Systemtic Name: 5-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-nitro-benzoate Openeye Name: 5-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-nitro-benzoate CAS Name: 5-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-nitrobenzoate IUPAC Name: 5-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-nitrobenzoate Traditional Name: 5-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-nitro-benzoate Formula: C15H19N2O4- MolecularWeight: 291.32236

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O4/c1-9-4-3-5-13(10(9)2)16-11-6-7-14(17(20)21)12(8-11)15(18)19/h6-10,13,16H,3-5H2,1-2H3,(H,18,19)/p-1/t9-,10+,13-/m0/s1