[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl] 3-nitrobenzoate

Systemtic Name: [2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl] 3-nitrobenzoate Openeye Name: [2-(cyclohexylmethylamino)-2-oxo-ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-(cyclohexylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylmethylamino)-2-oxoethyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-(cyclohexylmethylamino)-2-keto-ethyl] ester Formula: C16H20N2O5 MolecularWeight: 320.3404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC(=O)COC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)CNC(=O)COC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H20N2O5/c19-15(17-10-12-5-2-1-3-6-12)11-23-16(20)13-7-4-8-14(9-13)18(21)22/h4,7-9,12H,1-3,5-6,10-11H2,(H,17,19)