ethanedioic acid; 2-phenyl-4-(1-pyridin-3-ylethyl)-1,3,4-oxadiazin-5-one

Systemtic Name: ethanedioic acid; 2-phenyl-4-(1-pyridin-3-ylethyl)-1,3,4-oxadiazin-5-one Openeye Name: oxalic acid; 2-phenyl-4-[1-(3-pyridyl)ethyl]-1,3,4-oxadiazin-5-one CAS Name: oxalic acid; 2-phenyl-4-[1-(3-pyridinyl)ethyl]-1,3,4-oxadiazin-5-one IUPAC Name: oxalic acid; 2-phenyl-4-(1-pyridin-3-ylethyl)-1,3,4-oxadiazin-5-one Traditional Name: oxalic acid; 2-phenyl-4-[1-(3-pyridyl)ethyl]-1,3,4-oxadiazin-5-one Formula: C18H17N3O6 MolecularWeight: 371.34408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CN=CC=C1)N2C(=O)COC(=N2)C3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C1=CN=CC=C1)N2C(=O)COC(=N2)C3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H15N3O2.C2H2O4/c1-12(14-8-5-9-17-10-14)19-15(20)11-21-16(18-19)13-6-3-2-4-7-13;3-1(4)2(5)6/h2-10,12H,11H2,1H3;(H,3,4)(H,5,6)