[6,8-bis(bromanyl)-4-oxidanylidene-1H-quinazolin-2-yl]methyl 2-(2-cyanophenoxy)ethanoate

Systemtic Name: [6,8-bis(bromanyl)-4-oxidanylidene-1H-quinazolin-2-yl]methyl 2-(2-cyanophenoxy)ethanoate Openeye Name: (6,8-dibromo-4-oxo-1H-quinazolin-2-yl)methyl 2-(2-cyanophenoxy)acetate CAS Name: 2-(2-cyanophenoxy)acetic acid (6,8-dibromo-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (6,8-dibromo-4-oxo-1H-quinazolin-2-yl)methyl 2-(2-cyanophenoxy)acetate Traditional Name: 2-(2-cyanophenoxy)acetic acid (6,8-dibromo-4-keto-1H-quinazolin-2-yl)methyl ester Formula: C18H11Br2N3O4 MolecularWeight: 493.10564

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)OCC(=O)OCC2=NC(=O)C3=CC(=CC(=C3N2)Br)Br

Isomeric SMILES

C1=CC=C(C(=C1)C#N)OCC(=O)OCC2=NC(=O)C3=CC(=CC(=C3N2)Br)Br

InChI

InChI=1S/C18H11Br2N3O4/c19-11-5-12-17(13(20)6-11)22-15(23-18(12)25)8-27-16(24)9-26-14-4-2-1-3-10(14)7-21/h1-6H,8-9H2,(H,22,23,25)