butanedioic acid; (2E)-1-[(6-methoxypyridin-3-yl)methyl]-2-(nitromethylidene)piperidin-3-imine

Systemtic Name: butanedioic acid; (2E)-1-[(6-methoxypyridin-3-yl)methyl]-2-(nitromethylidene)piperidin-3-imine Openeye Name: (2E)-1-[(6-methoxy-3-pyridyl)methyl]-2-(nitromethylene)piperidin-3-imine; succinic acid CAS Name: butanedioic acid; (2E)-1-[(6-methoxy-3-pyridinyl)methyl]-2-(nitromethylidene)-3-piperidinimine IUPAC Name: butanedioic acid; (2E)-1-[(6-methoxypyridin-3-yl)methyl]-2-(nitromethylidene)piperidin-3-imine Traditional Name: [(2E)-1-[(6-methoxy-3-pyridyl)methyl]-2-(nitromethylene)-3-piperidylidene]amine; succinic acid Formula: C17H22N4O7 MolecularWeight: 394.37918

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=C1)CN2CCCC(=N)C2=C[N+](=O)[O-].C(CC(=O)O)C(=O)O

Isomeric SMILES

COC1=NC=C(C=C1)CN\2CCCC(=N)/C2=C\[N+](=O)[O-].C(CC(=O)O)C(=O)O

InChI

InChI=1S/C13H16N4O3.C4H6O4/c1-20-13-5-4-10(7-15-13)8-16-6-2-3-11(14)12(16)9-17(18)19;5-3(6)1-2-4(7)8/h4-5,7,9,14H,2-3,6,8H2,1H3;1-2H2,(H,5,6)(H,7,8)/b12-9+,14-11?;