dimethyl 5-[[3-nitro-4-(2-pyridin-3-ylpiperidin-1-yl)phenyl]carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[3-nitro-4-(2-pyridin-3-ylpiperidin-1-yl)phenyl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[3-nitro-4-[2-(3-pyridyl)-1-piperidyl]benzoyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[3-nitro-4-[2-(3-pyridinyl)-1-piperidinyl]phenyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[3-nitro-4-(2-pyridin-3-ylpiperidin-1-yl)benzoyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[3-nitro-4-[2-(3-pyridyl)piperidino]benzoyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C27H26N4O7 MolecularWeight: 518.51794

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=CC(=C(C=C2)N3CCCCC3C4=CN=CC=C4)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=CC(=C(C=C2)N3CCCCC3C4=CN=CC=C4)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C27H26N4O7/c1-37-26(33)19-12-20(27(34)38-2)14-21(13-19)29-25(32)17-8-9-23(24(15-17)31(35)36)30-11-4-3-7-22(30)18-6-5-10-28-16-18/h5-6,8-10,12-16,22H,3-4,7,11H2,1-2H3,(H,29,32)