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

Systemtic Name: butanedioic acid; (2E)-1-[(6-methoxypyridin-3-yl)methyl]-2-(nitromethylidene)-1,3-diazinane Openeye Name: (2E)-1-[(6-methoxy-3-pyridyl)methyl]-2-(nitromethylene)hexahydropyrimidine; succinic acid CAS Name: butanedioic acid; (2E)-1-[(6-methoxy-3-pyridinyl)methyl]-2-(nitromethylidene)-1,3-diazinane IUPAC Name: butanedioic acid; (2E)-1-[(6-methoxypyridin-3-yl)methyl]-2-(nitromethylidene)-1,3-diazinane Traditional Name: (2E)-1-[(6-methoxy-3-pyridyl)methyl]-2-(nitromethylene)hexahydropyrimidine; succinic acid Formula: C16H22N4O7 MolecularWeight: 382.36848

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=C1)CN2CCCNC2=C[N+](=O)[O-].C(CC(=O)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C12H16N4O3.C4H6O4/c1-19-12-4-3-10(7-14-12)8-15-6-2-5-13-11(15)9-16(17)18;5-3(6)1-2-4(7)8/h3-4,7,9,13H,2,5-6,8H2,1H3;1-2H2,(H,5,6)(H,7,8)/b11-9+;