methyl 3-nitro-5-[4-(phenylmethyl)piperidin-1-yl]carbonyl-benzoate

Systemtic Name: methyl 3-nitro-5-[4-(phenylmethyl)piperidin-1-yl]carbonyl-benzoate Openeye Name: methyl 3-(4-benzylpiperidine-1-carbonyl)-5-nitro-benzoate CAS Name: 3-nitro-5-[oxo-[4-(phenylmethyl)-1-piperidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-(4-benzylpiperidine-1-carbonyl)-5-nitrobenzoate Traditional Name: 3-(4-benzylpiperidine-1-carbonyl)-5-nitro-benzoic acid methyl ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)N2CCC(CC2)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)N2CCC(CC2)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O5/c1-28-21(25)18-12-17(13-19(14-18)23(26)27)20(24)22-9-7-16(8-10-22)11-15-5-3-2-4-6-15/h2-6,12-14,16H,7-11H2,1H3