(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-(3-methyl-4-oxidanylidene-quinazolin-2-yl)propanoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-(3-methyl-4-oxidanylidene-quinazolin-2-yl)propanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-(3-methyl-4-oxo-quinazolin-2-yl)propanoate CAS Name: 3-(3-methyl-4-oxo-2-quinazolinyl)propanoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate Traditional Name: 3-(4-keto-3-methyl-quinazolin-2-yl)propionic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C20H17N5O4 MolecularWeight: 391.38008

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=CC=CC=C2C1=O)CCC(=O)OCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

CN1C(=NC2=CC=CC=C2C1=O)CCC(=O)OCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C20H17N5O4/c1-24-17(21-15-8-4-2-6-13(15)19(24)27)10-11-18(26)29-12-25-20(28)14-7-3-5-9-16(14)22-23-25/h2-9H,10-12H2,1H3