methyl 4-chloranyl-3-[[1-(2-nitrophenyl)piperidin-4-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-chloranyl-3-[[1-(2-nitrophenyl)piperidin-4-yl]carbonylamino]benzoate Openeye Name: methyl 4-chloro-3-[[1-(2-nitrophenyl)piperidine-4-carbonyl]amino]benzoate CAS Name: 4-chloro-3-[[[1-(2-nitrophenyl)-4-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[[1-(2-nitrophenyl)piperidine-4-carbonyl]amino]benzoate Traditional Name: 4-chloro-3-[[1-(2-nitrophenyl)isonipecotoyl]amino]benzoic acid methyl ester Formula: C20H20ClN3O5 MolecularWeight: 417.8429

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3O5/c1-29-20(26)14-6-7-15(21)16(12-14)22-19(25)13-8-10-23(11-9-13)17-4-2-3-5-18(17)24(27)28/h2-7,12-13H,8-11H2,1H3,(H,22,25)