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

Systemtic Name: methyl 4-[[1-(2-nitrophenyl)piperidin-4-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[1-(2-nitrophenyl)piperidine-4-carbonyl]amino]benzoate CAS Name: 4-[[[1-(2-nitrophenyl)-4-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-(2-nitrophenyl)piperidine-4-carbonyl]amino]benzoate Traditional Name: 4-[[1-(2-nitrophenyl)isonipecotoyl]amino]benzoic acid methyl ester Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O5/c1-28-20(25)15-6-8-16(9-7-15)21-19(24)14-10-12-22(13-11-14)17-4-2-3-5-18(17)23(26)27/h2-9,14H,10-13H2,1H3,(H,21,24)