dimethyl 5-[(5-nitro-2-piperidin-1-yl-phenyl)carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(5-nitro-2-piperidin-1-yl-phenyl)carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[5-nitro-2-(1-piperidyl)benzoyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[5-nitro-2-(1-piperidinyl)phenyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(5-nitro-2-piperidin-1-ylbenzoyl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[(5-nitro-2-piperidino-benzoyl)amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H23N3O7 MolecularWeight: 441.43392

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCC3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCC3)C(=O)OC

InChI

InChI=1S/C22H23N3O7/c1-31-21(27)14-10-15(22(28)32-2)12-16(11-14)23-20(26)18-13-17(25(29)30)6-7-19(18)24-8-4-3-5-9-24/h6-7,10-13H,3-5,8-9H2,1-2H3,(H,23,26)