methyl 4,5-dimethoxy-2-[[1-(2-nitrophenyl)piperidin-4-yl]carbonylamino]benzoate

Systemtic Name: methyl 4,5-dimethoxy-2-[[1-(2-nitrophenyl)piperidin-4-yl]carbonylamino]benzoate Openeye Name: methyl 4,5-dimethoxy-2-[[1-(2-nitrophenyl)piperidine-4-carbonyl]amino]benzoate CAS Name: 4,5-dimethoxy-2-[[[1-(2-nitrophenyl)-4-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4,5-dimethoxy-2-[[1-(2-nitrophenyl)piperidine-4-carbonyl]amino]benzoate Traditional Name: 4,5-dimethoxy-2-[[1-(2-nitrophenyl)isonipecotoyl]amino]benzoic acid methyl ester Formula: C22H25N3O7 MolecularWeight: 443.4498

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-])OC

InChI

InChI=1S/C22H25N3O7/c1-30-19-12-15(22(27)32-3)16(13-20(19)31-2)23-21(26)14-8-10-24(11-9-14)17-6-4-5-7-18(17)25(28)29/h4-7,12-14H,8-11H2,1-3H3,(H,23,26)