dimethyl (2Z,6Z)-2,7-bis(pyridin-2-ylcarbonylamino)octa-2,6-dienedioate

Systemtic Name: dimethyl (2Z,6Z)-2,7-bis(pyridin-2-ylcarbonylamino)octa-2,6-dienedioate Openeye Name: dimethyl (2Z,6Z)-2,7-bis(pyridine-2-carbonylamino)octa-2,6-dienedioate CAS Name: (2Z,6Z)-2,7-bis[[oxo(2-pyridinyl)methyl]amino]octa-2,6-dienedioic acid dimethyl ester IUPAC Name: dimethyl (2Z,6Z)-2,7-bis(pyridine-2-carbonylamino)octa-2,6-dienedioate Traditional Name: (2Z,6Z)-2,7-dipicolinamidoocta-2,6-dienedioic acid dimethyl ester Formula: C22H22N4O6 MolecularWeight: 438.43328

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CCCC=C(C(=O)OC)NC(=O)C1=CC=CC=N1)NC(=O)C2=CC=CC=N2

Isomeric SMILES

COC(=O)/C(=C/CC/C=C(\NC(=O)C1=CC=CC=N1)/C(=O)OC)/NC(=O)C2=CC=CC=N2

InChI

InChI=1S/C22H22N4O6/c1-31-21(29)17(25-19(27)15-9-5-7-13-23-15)11-3-4-12-18(22(30)32-2)26-20(28)16-10-6-8-14-24-16/h5-14H,3-4H2,1-2H3,(H,25,27)(H,26,28)/b17-11-,18-12-