(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 3-(4-oxidanylidene-1H-quinazolin-2-yl)propanoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 3-(4-oxidanylidene-1H-quinazolin-2-yl)propanoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 3-(4-oxo-1H-quinazolin-2-yl)propanoate CAS Name: 3-(4-oxo-1H-quinazolin-2-yl)propanoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 3-(4-oxo-1H-quinazolin-2-yl)propanoate Traditional Name: 3-(4-keto-1H-quinazolin-2-yl)propionic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C17H16N4O4 MolecularWeight: 340.33334

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)CCC1=NC(=O)C2=CC=CC=C2N1

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)CCC1=NC(=O)C2=CC=CC=C2N1

InChI

InChI=1S/C17H16N4O4/c1-10(19)12(8-18)14(22)9-25-16(23)7-6-15-20-13-5-3-2-4-11(13)17(24)21-15/h2-5,12,19H,6-7,9H2,1H3,(H,20,21,24)