[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 3-(4-oxidanylidene-1H-quinazolin-2-yl)propanoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 3-(4-oxidanylidene-1H-quinazolin-2-yl)propanoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 3-(4-oxo-1H-quinazolin-2-yl)propanoate CAS Name: 3-(4-oxo-1H-quinazolin-2-yl)propanoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 3-(4-oxo-1H-quinazolin-2-yl)propanoate Traditional Name: 3-(4-keto-1H-quinazolin-2-yl)propionic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C17H16N4O4 MolecularWeight: 340.33334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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/h2-5H,6-7,9,19H2,1H3,(H,20,21,24)/b12-10+