(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 3-(3-methyl-4-oxidanylidene-quinazolin-2-yl)propanoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 3-(3-methyl-4-oxidanylidene-quinazolin-2-yl)propanoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 3-(3-methyl-4-oxo-quinazolin-2-yl)propanoate CAS Name: 3-(3-methyl-4-oxo-2-quinazolinyl)propanoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate Traditional Name: 3-(4-keto-3-methyl-quinazolin-2-yl)propionic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C18H18N4O4 MolecularWeight: 354.35992

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)CCC1=NC2=CC=CC=C2C(=O)N1C

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)CCC1=NC2=CC=CC=C2C(=O)N1C

InChI

InChI=1S/C18H18N4O4/c1-11(20)13(9-19)15(23)10-26-17(24)8-7-16-21-14-6-4-3-5-12(14)18(25)22(16)2/h3-6,13,20H,7-8,10H2,1-2H3