methyl 4-[2-(cyclohexylmethylamino)-2-oxidanylidene-ethoxy]-3-nitro-benzoate

Systemtic Name: methyl 4-[2-(cyclohexylmethylamino)-2-oxidanylidene-ethoxy]-3-nitro-benzoate Openeye Name: methyl 4-[2-(cyclohexylmethylamino)-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[2-(cyclohexylmethylamino)-2-oxoethoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-(cyclohexylmethylamino)-2-oxoethoxy]-3-nitrobenzoate Traditional Name: 4-[2-(cyclohexylmethylamino)-2-keto-ethoxy]-3-nitro-benzoic acid methyl ester Formula: C17H22N2O6 MolecularWeight: 350.36638

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)OCC(=O)NCC2CCCCC2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)OCC(=O)NCC2CCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C17H22N2O6/c1-24-17(21)13-7-8-15(14(9-13)19(22)23)25-11-16(20)18-10-12-5-3-2-4-6-12/h7-9,12H,2-6,10-11H2,1H3,(H,18,20)