3-[3-(4-cyanophenyl)-2-oxidanylidene-1,3-diazinan-1-yl]propanoic acid

Systemtic Name: 3-[3-(4-cyanophenyl)-2-oxidanylidene-1,3-diazinan-1-yl]propanoic acid Openeye Name: 3-[3-(4-cyanophenyl)-2-oxo-hexahydropyrimidin-1-yl]propanoic acid CAS Name: 3-[3-(4-cyanophenyl)-2-oxo-1,3-diazinan-1-yl]propanoic acid IUPAC Name: 3-[3-(4-cyanophenyl)-2-oxo-1,3-diazinan-1-yl]propanoic acid Traditional Name: 3-[3-(4-cyanophenyl)-2-keto-hexahydropyrimidin-1-yl]propionic acid Formula: C14H15N3O3 MolecularWeight: 273.2872

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)N(C1)C2=CC=C(C=C2)C#N)CCC(=O)O

Isomeric SMILES

C1CN(C(=O)N(C1)C2=CC=C(C=C2)C#N)CCC(=O)O

InChI

InChI=1S/C14H15N3O3/c15-10-11-2-4-12(5-3-11)17-8-1-7-16(14(17)20)9-6-13(18)19/h2-5H,1,6-9H2,(H,18,19)