methyl 4-[[(5-nitro-2-piperidin-1-yl-phenyl)carbonylamino]methyl]benzoate

Systemtic Name: methyl 4-[[(5-nitro-2-piperidin-1-yl-phenyl)carbonylamino]methyl]benzoate Openeye Name: methyl 4-[[[5-nitro-2-(1-piperidyl)benzoyl]amino]methyl]benzoate CAS Name: 4-[[[[5-nitro-2-(1-piperidinyl)phenyl]-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(5-nitro-2-piperidin-1-ylbenzoyl)amino]methyl]benzoate Traditional Name: 4-[[(5-nitro-2-piperidino-benzoyl)amino]methyl]benzoic acid methyl ester Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O5/c1-29-21(26)16-7-5-15(6-8-16)14-22-20(25)18-13-17(24(27)28)9-10-19(18)23-11-3-2-4-12-23/h5-10,13H,2-4,11-12,14H2,1H3,(H,22,25)