O1-methyl O4-(phenylmethyl) 2-ethanoyl-3-[1-(pyrimidin-2-yldiazenyl)ethyl]butanedioate

Systemtic Name: O1-methyl O4-(phenylmethyl) 2-ethanoyl-3-[1-(pyrimidin-2-yldiazenyl)ethyl]butanedioate Openeye Name: O1-benzyl O4-methyl 3-acetyl-2-(1-pyrimidin-2-ylazoethyl)butanedioate CAS Name: 2-acetyl-3-[1-(2-pyrimidinylazo)ethyl]butanedioic acid O1-methyl ester O4-(phenylmethyl) ester IUPAC Name: 4-O-benzyl 1-O-methyl 2-acetyl-3-[1-(pyrimidin-2-yldiazenyl)ethyl]butanedioate Traditional Name: 3-acetyl-2-[1-(2-pyrimidylazo)ethyl]succinic acid O1-benzyl ester O4-methyl ester Formula: C20H22N4O5 MolecularWeight: 398.41248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(C(=O)C)C(=O)OC)C(=O)OCC1=CC=CC=C1)N=NC2=NC=CC=N2

Isomeric SMILES

CC(C(C(C(=O)C)C(=O)OC)C(=O)OCC1=CC=CC=C1)N=NC2=NC=CC=N2

InChI

InChI=1S/C20H22N4O5/c1-13(23-24-20-21-10-7-11-22-20)16(17(14(2)25)18(26)28-3)19(27)29-12-15-8-5-4-6-9-15/h4-11,13,16-17H,12H2,1-3H3