ethanoic acid; [2-(4-oxidanylidenequinazolin-3-yl)carbonylphenyl] ethanoate

Systemtic Name: ethanoic acid; [2-(4-oxidanylidenequinazolin-3-yl)carbonylphenyl] ethanoate Openeye Name: acetic acid; [2-(4-oxoquinazoline-3-carbonyl)phenyl] acetate CAS Name: acetic acid; acetic acid [2-[oxo-(4-oxo-3-quinazolinyl)methyl]phenyl] ester IUPAC Name: acetic acid; [2-(4-oxoquinazoline-3-carbonyl)phenyl] acetate Traditional Name: acetic acid; acetic acid [2-(4-ketoquinazoline-3-carbonyl)phenyl] ester Formula: C36H28N4O10 MolecularWeight: 676.62832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.CC(=O)OC1=CC=CC=C1C(=O)N2C=NC3=CC=CC=C3C2=O.CC(=O)OC1=CC=CC=C1C(=O)N2C=NC3=CC=CC=C3C2=O

Isomeric SMILES

CC(=O)O.CC(=O)OC1=CC=CC=C1C(=O)N2C=NC3=CC=CC=C3C2=O.CC(=O)OC1=CC=CC=C1C(=O)N2C=NC3=CC=CC=C3C2=O

InChI

InChI=1S/2C17H12N2O4.C2H4O2/c2*1-11(20)23-15-9-5-3-7-13(15)17(22)19-10-18-14-8-4-2-6-12(14)16(19)21;1-2(3)4/h2*2-10H,1H3;1H3,(H,3,4)