[2-[cyclohexen-1-yl(ethyl)amino]-2-oxidanylidene-ethyl] 2-methyl-6-nitro-benzoate

Systemtic Name: [2-[cyclohexen-1-yl(ethyl)amino]-2-oxidanylidene-ethyl] 2-methyl-6-nitro-benzoate Openeye Name: [2-[cyclohexen-1-yl(ethyl)amino]-2-oxo-ethyl] 2-methyl-6-nitro-benzoate CAS Name: 2-methyl-6-nitrobenzoic acid [2-[1-cyclohexenyl(ethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl] 2-methyl-6-nitrobenzoate Traditional Name: 2-methyl-6-nitro-benzoic acid [2-[cyclohexen-1-yl(ethyl)amino]-2-keto-ethyl] ester Formula: C18H22N2O5 MolecularWeight: 346.37768

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CCCCC1)C(=O)COC(=O)C2=C(C=CC=C2[N+](=O)[O-])C

Isomeric SMILES

CCN(C1=CCCCC1)C(=O)COC(=O)C2=C(C=CC=C2[N+](=O)[O-])C

InChI

InChI=1S/C18H22N2O5/c1-3-19(14-9-5-4-6-10-14)16(21)12-25-18(22)17-13(2)8-7-11-15(17)20(23)24/h7-9,11H,3-6,10,12H2,1-2H3