4-[[(5R)-2,4,6-tris(oxidanylidene)-1-phenyl-1,3-diazinan-5-yl]methylideneamino]butanoate

Systemtic Name: 4-[[(5R)-2,4,6-tris(oxidanylidene)-1-phenyl-1,3-diazinan-5-yl]methylideneamino]butanoate Openeye Name: 4-[[(5R)-2,4,6-trioxo-1-phenyl-hexahydropyrimidin-5-yl]methyleneamino]butanoate CAS Name: 4-[[(5R)-2,4,6-trioxo-1-phenyl-1,3-diazinan-5-yl]methylideneamino]butanoate IUPAC Name: 4-[[(5R)-2,4,6-trioxo-1-phenyl-1,3-diazinan-5-yl]methylideneamino]butanoate Traditional Name: 4-[[(5R)-2,4,6-triketo-1-phenyl-hexahydropyrimidin-5-yl]methyleneamino]butyrate Formula: C15H14N3O5- MolecularWeight: 316.28876

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C(C(=O)NC2=O)C=NCCCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)[C@@H](C(=O)NC2=O)C=NCCCC(=O)[O-]

InChI

InChI=1S/C15H15N3O5/c19-12(20)7-4-8-16-9-11-13(21)17-15(23)18(14(11)22)10-5-2-1-3-6-10/h1-3,5-6,9,11H,4,7-8H2,(H,19,20)(H,17,21,23)/p-1/t11-/m1/s1