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

Systemtic Name: ethyl 3-nitro-5-[4-(phenylmethyl)piperidin-1-yl]carbonyl-benzoate Openeye Name: ethyl 3-(4-benzylpiperidine-1-carbonyl)-5-nitro-benzoate CAS Name: 3-nitro-5-[oxo-[4-(phenylmethyl)-1-piperidinyl]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-(4-benzylpiperidine-1-carbonyl)-5-nitrobenzoate Traditional Name: 3-(4-benzylpiperidine-1-carbonyl)-5-nitro-benzoic acid ethyl ester Formula: C22H24N2O5 MolecularWeight: 396.43636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O5/c1-2-29-22(26)19-13-18(14-20(15-19)24(27)28)21(25)23-10-8-17(9-11-23)12-16-6-4-3-5-7-16/h3-7,13-15,17H,2,8-12H2,1H3