methyl 4-[2-[cyclohexyl(phenyl)amino]-2-oxidanylidene-ethoxy]-3-nitro-benzoate

Systemtic Name: methyl 4-[2-[cyclohexyl(phenyl)amino]-2-oxidanylidene-ethoxy]-3-nitro-benzoate Openeye Name: methyl 4-[2-(N-cyclohexylanilino)-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[2-(N-cyclohexylanilino)-2-oxoethoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-(N-cyclohexylanilino)-2-oxoethoxy]-3-nitrobenzoate Traditional Name: 4-[2-(N-cyclohexylanilino)-2-keto-ethoxy]-3-nitro-benzoic acid methyl ester Formula: C22H24N2O6 MolecularWeight: 412.43576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)OCC(=O)N(C2CCCCC2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)OCC(=O)N(C2CCCCC2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H24N2O6/c1-29-22(26)16-12-13-20(19(14-16)24(27)28)30-15-21(25)23(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2,4-5,8-9,12-14,18H,3,6-7,10-11,15H2,1H3