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

Systemtic Name: methyl 4-[[1-(4-nitrophenyl)carbonylpiperidin-4-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[1-(4-nitrobenzoyl)piperidine-4-carbonyl]amino]benzoate CAS Name: 4-[[[1-[(4-nitrophenyl)-oxomethyl]-4-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-(4-nitrobenzoyl)piperidine-4-carbonyl]amino]benzoate Traditional Name: 4-[[1-(4-nitrobenzoyl)isonipecotoyl]amino]benzoic acid methyl ester Formula: C21H21N3O6 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O6/c1-30-21(27)16-2-6-17(7-3-16)22-19(25)14-10-12-23(13-11-14)20(26)15-4-8-18(9-5-15)24(28)29/h2-9,14H,10-13H2,1H3,(H,22,25)