(5-ethanoyl-2-methoxy-phenyl)methyl 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl 4-(3-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3-methyl-1-piperidinyl)-3-nitrobenzoic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl 4-(3-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3-methylpiperidino)-3-nitro-benzoic acid (5-acetyl-2-methoxy-benzyl) ester Formula: C23H26N2O6 MolecularWeight: 426.46234

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCC3=C(C=CC(=C3)C(=O)C)OC)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCC3=C(C=CC(=C3)C(=O)C)OC)[N+](=O)[O-]

InChI

InChI=1S/C23H26N2O6/c1-15-5-4-10-24(13-15)20-8-6-18(12-21(20)25(28)29)23(27)31-14-19-11-17(16(2)26)7-9-22(19)30-3/h6-9,11-12,15H,4-5,10,13-14H2,1-3H3