[1-[2-(cyclohexen-1-yl)ethylamino]-1-oxidanylidene-propan-2-yl] 2-chloranyl-4-nitro-benzoate

Systemtic Name: [1-[2-(cyclohexen-1-yl)ethylamino]-1-oxidanylidene-propan-2-yl] 2-chloranyl-4-nitro-benzoate Openeye Name: [2-[2-(cyclohexen-1-yl)ethylamino]-1-methyl-2-oxo-ethyl] 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid [1-[2-(1-cyclohexenyl)ethylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid [2-[2-(cyclohexen-1-yl)ethylamino]-2-keto-1-methyl-ethyl] ester Formula: C18H21ClN2O5 MolecularWeight: 380.82274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CCCCC1)OC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C(=O)NCCC1=CCCCC1)OC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H21ClN2O5/c1-12(17(22)20-10-9-13-5-3-2-4-6-13)26-18(23)15-8-7-14(21(24)25)11-16(15)19/h5,7-8,11-12H,2-4,6,9-10H2,1H3,(H,20,22)