(4,5-dimethoxy-2-methyl-phenyl)methyl 3-nitro-4-piperidin-1-yl-benzoate

Systemtic Name: (4,5-dimethoxy-2-methyl-phenyl)methyl 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: (4,5-dimethoxy-2-methyl-phenyl)methyl 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid (4,5-dimethoxy-2-methylphenyl)methyl ester IUPAC Name: (4,5-dimethoxy-2-methylphenyl)methyl 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid (4,5-dimethoxy-2-methyl-benzyl) ester Formula: C22H26N2O6 MolecularWeight: 414.45164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1COC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1COC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C22H26N2O6/c1-15-11-20(28-2)21(29-3)13-17(15)14-30-22(25)16-7-8-18(19(12-16)24(26)27)23-9-5-4-6-10-23/h7-8,11-13H,4-6,9-10,14H2,1-3H3