methyl (E)-4-(1,3-diazinan-2-ylidene)-5-(4-methoxyphenyl)-5-oxidanylidene-pent-2-enoate

Systemtic Name: methyl (E)-4-(1,3-diazinan-2-ylidene)-5-(4-methoxyphenyl)-5-oxidanylidene-pent-2-enoate Openeye Name: methyl (E)-4-hexahydropyrimidin-2-ylidene-5-(4-methoxyphenyl)-5-oxo-pent-2-enoate CAS Name: (E)-4-(1,3-diazinan-2-ylidene)-5-(4-methoxyphenyl)-5-oxo-2-pentenoic acid methyl ester IUPAC Name: methyl (E)-4-(1,3-diazinan-2-ylidene)-5-(4-methoxyphenyl)-5-oxopent-2-enoate Traditional Name: (E)-4-hexahydropyrimidin-2-ylidene-5-keto-5-(4-methoxyphenyl)pent-2-enoic acid methyl ester Formula: C17H20N2O4 MolecularWeight: 316.3517

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C(=C2NCCCN2)C=CC(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C(=C2NCCCN2)/C=C/C(=O)OC

InChI

InChI=1S/C17H20N2O4/c1-22-13-6-4-12(5-7-13)16(21)14(8-9-15(20)23-2)17-18-10-3-11-19-17/h4-9,18-19H,3,10-11H2,1-2H3/b9-8+