methyl 3-[2-(cyclohexen-1-yl)ethylcarbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[2-(cyclohexen-1-yl)ethylcarbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[2-(cyclohexen-1-yl)ethylcarbamoyl]-5-nitro-benzoate CAS Name: 3-[[2-(1-cyclohexenyl)ethylamino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[2-(cyclohexen-1-yl)ethylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[2-(cyclohexen-1-yl)ethylcarbamoyl]-5-nitro-benzoic acid methyl ester Formula: C17H20N2O5 MolecularWeight: 332.3511

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O5/c1-24-17(21)14-9-13(10-15(11-14)19(22)23)16(20)18-8-7-12-5-3-2-4-6-12/h5,9-11H,2-4,6-8H2,1H3,(H,18,20)