methyl 4-[[[1-(2-nitrophenyl)piperidin-4-yl]carbonylamino]methyl]benzoate

Systemtic Name: methyl 4-[[[1-(2-nitrophenyl)piperidin-4-yl]carbonylamino]methyl]benzoate Openeye Name: methyl 4-[[[1-(2-nitrophenyl)piperidine-4-carbonyl]amino]methyl]benzoate CAS Name: 4-[[[[1-(2-nitrophenyl)-4-piperidinyl]-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[1-(2-nitrophenyl)piperidine-4-carbonyl]amino]methyl]benzoate Traditional Name: 4-[[[1-(2-nitrophenyl)isonipecotoyl]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)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O5/c1-29-21(26)17-8-6-15(7-9-17)14-22-20(25)16-10-12-23(13-11-16)18-4-2-3-5-19(18)24(27)28/h2-9,16H,10-14H2,1H3,(H,22,25)