methyl 4-[2-(cyclohexylamino)-2-oxidanylidene-1-phenyl-ethoxy]-3-nitro-benzoate

Systemtic Name: methyl 4-[2-(cyclohexylamino)-2-oxidanylidene-1-phenyl-ethoxy]-3-nitro-benzoate Openeye Name: methyl 4-[2-(cyclohexylamino)-2-oxo-1-phenyl-ethoxy]-3-nitro-benzoate CAS Name: 4-[2-(cyclohexylamino)-2-oxo-1-phenylethoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-(cyclohexylamino)-2-oxo-1-phenylethoxy]-3-nitrobenzoate Traditional Name: 4-[2-(cyclohexylamino)-2-keto-1-phenyl-ethoxy]-3-nitro-benzoic acid methyl ester Formula: C22H24N2O6 MolecularWeight: 412.43576

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)OC(C2=CC=CC=C2)C(=O)NC3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)OC(C2=CC=CC=C2)C(=O)NC3CCCCC3)[N+](=O)[O-]

InChI

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