[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-(4-oxidanylidenequinazolin-3-yl)ethanoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-(4-oxidanylidenequinazolin-3-yl)ethanoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 2-(4-oxoquinazolin-3-yl)acetate CAS Name: 2-(4-oxo-3-quinazolinyl)acetic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 2-(4-oxoquinazolin-3-yl)acetate Traditional Name: 2-(4-ketoquinazolin-3-yl)acetic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C16H14N4O4 MolecularWeight: 326.30676

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC(=O)CN1C=NC2=CC=CC=C2C1=O)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)CN1C=NC2=CC=CC=C2C1=O)/N

InChI

InChI=1S/C16H14N4O4/c1-10(18)12(6-17)14(21)8-24-15(22)7-20-9-19-13-5-3-2-4-11(13)16(20)23/h2-5,9H,7-8,18H2,1H3/b12-10+