(4-methoxycarbonylphenyl)methyl 3-nitro-4-piperidin-1-yl-benzoate

Systemtic Name: (4-methoxycarbonylphenyl)methyl 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: (4-methoxycarbonylphenyl)methyl 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid (4-methoxycarbonylphenyl)methyl ester IUPAC Name: (4-methoxycarbonylphenyl)methyl 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid (4-carbomethoxybenzyl) ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)COC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)COC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O6/c1-28-20(24)16-7-5-15(6-8-16)14-29-21(25)17-9-10-18(19(13-17)23(26)27)22-11-3-2-4-12-22/h5-10,13H,2-4,11-12,14H2,1H3