(2-azanyl-2-oxidanylidene-ethyl) 5-nitro-2-[4-(phenylmethyl)piperidin-1-yl]benzoate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 5-nitro-2-[4-(phenylmethyl)piperidin-1-yl]benzoate Openeye Name: (2-amino-2-oxo-ethyl) 2-(4-benzyl-1-piperidyl)-5-nitro-benzoate CAS Name: 5-nitro-2-[4-(phenylmethyl)-1-piperidinyl]benzoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 2-(4-benzylpiperidin-1-yl)-5-nitrobenzoate Traditional Name: 2-(4-benzylpiperidino)-5-nitro-benzoic acid (2-amino-2-keto-ethyl) ester Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)OCC(=O)N

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)OCC(=O)N

InChI

InChI=1S/C21H23N3O5/c22-20(25)14-29-21(26)18-13-17(24(27)28)6-7-19(18)23-10-8-16(9-11-23)12-15-4-2-1-3-5-15/h1-7,13,16H,8-12,14H2,(H2,22,25)