5-[4-[cyclohexyl(methyl)amino]-4-oxidanylidene-butoxy]-2-nitro-benzoic acid

Systemtic Name: 5-[4-[cyclohexyl(methyl)amino]-4-oxidanylidene-butoxy]-2-nitro-benzoic acid Openeye Name: 5-[4-[cyclohexyl(methyl)amino]-4-oxo-butoxy]-2-nitro-benzoic acid CAS Name: 5-[4-[cyclohexyl(methyl)amino]-4-oxobutoxy]-2-nitrobenzoic acid IUPAC Name: 5-[4-[cyclohexyl(methyl)amino]-4-oxobutoxy]-2-nitrobenzoic acid Traditional Name: 5-[4-[cyclohexyl(methyl)amino]-4-keto-butoxy]-2-nitro-benzoic acid Formula: C18H24N2O6 MolecularWeight: 364.39296

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C(=O)CCCOC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CN(C1CCCCC1)C(=O)CCCOC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C18H24N2O6/c1-19(13-6-3-2-4-7-13)17(21)8-5-11-26-14-9-10-16(20(24)25)15(12-14)18(22)23/h9-10,12-13H,2-8,11H2,1H3,(H,22,23)