O1-[(Z)-2-azanyl-2-pyrimidin-2-yl-ethenyl] O3-methyl 2-(4-methylphenyl)propanedioate

Systemtic Name: O1-[(Z)-2-azanyl-2-pyrimidin-2-yl-ethenyl] O3-methyl 2-(4-methylphenyl)propanedioate Openeye Name: O1-[(Z)-2-amino-2-pyrimidin-2-yl-vinyl] O3-methyl 2-(p-tolyl)propanedioate CAS Name: 2-(4-methylphenyl)propanedioic acid O1-[(Z)-2-amino-2-(2-pyrimidinyl)ethenyl] ester O3-methyl ester IUPAC Name: 1-O-[(Z)-2-amino-2-pyrimidin-2-ylethenyl] 3-O-methyl 2-(4-methylphenyl)propanedioate Traditional Name: 2-(p-tolyl)malonic acid O1-[(Z)-2-amino-2-(2-pyrimidyl)vinyl] ester O3-methyl ester Formula: C17H17N3O4 MolecularWeight: 327.33458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(=O)OC)C(=O)OC=C(C2=NC=CC=N2)N

Isomeric SMILES

CC1=CC=C(C=C1)C(C(=O)OC)C(=O)O/C=C(/C2=NC=CC=N2)\N

InChI

InChI=1S/C17H17N3O4/c1-11-4-6-12(7-5-11)14(16(21)23-2)17(22)24-10-13(18)15-19-8-3-9-20-15/h3-10,14H,18H2,1-2H3/b13-10-