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

Systemtic Name: 4-[[(5R)-1-naphthalen-1-yl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-yl]methylideneamino]butanoate Openeye Name: 4-[[(5R)-1-(1-naphthyl)-2,4,6-trioxo-hexahydropyrimidin-5-yl]methyleneamino]butanoate CAS Name: 4-[[(5R)-1-(1-naphthalenyl)-2,4,6-trioxo-1,3-diazinan-5-yl]methylideneamino]butanoate IUPAC Name: 4-[[(5R)-1-naphthalen-1-yl-2,4,6-trioxo-1,3-diazinan-5-yl]methylideneamino]butanoate Traditional Name: 4-[[(5R)-2,4,6-triketo-1-(1-naphthyl)hexahydropyrimidin-5-yl]methyleneamino]butyrate Formula: C19H16N3O5- MolecularWeight: 366.34744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2N3C(=O)C(C(=O)NC3=O)C=NCCCC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2N3C(=O)[C@@H](C(=O)NC3=O)C=NCCCC(=O)[O-]

InChI

InChI=1S/C19H17N3O5/c23-16(24)9-4-10-20-11-14-17(25)21-19(27)22(18(14)26)15-8-3-6-12-5-1-2-7-13(12)15/h1-3,5-8,11,14H,4,9-10H2,(H,23,24)(H,21,25,27)/p-1/t14-/m1/s1