methyl 4-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanylidene-ethoxy]-3-nitro-benzoate

Systemtic Name: methyl 4-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanylidene-ethoxy]-3-nitro-benzoate Openeye Name: methyl 4-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[2-[2-(1-cyclohexenyl)ethylamino]-2-oxoethoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethoxy]-3-nitrobenzoate Traditional Name: 4-[2-[2-(cyclohexen-1-yl)ethylamino]-2-keto-ethoxy]-3-nitro-benzoic acid methyl ester Formula: C18H22N2O6 MolecularWeight: 362.37708

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)OCC(=O)NCCC2=CCCCC2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)OCC(=O)NCCC2=CCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C18H22N2O6/c1-25-18(22)14-7-8-16(15(11-14)20(23)24)26-12-17(21)19-10-9-13-5-3-2-4-6-13/h5,7-8,11H,2-4,6,9-10,12H2,1H3,(H,19,21)