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

Systemtic Name: 4-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-3-nitro-benzoate Openeye Name: 4-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-3-nitro-benzoate CAS Name: 4-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-3-nitrobenzoate IUPAC Name: 4-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-3-nitrobenzoate Traditional Name: 4-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-3-nitro-benzoate Formula: C15H19N2O4- MolecularWeight: 291.32236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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