2-[2-[(E)-2-(6-bromanyl-4-oxidanylidene-1H-quinazolin-2-yl)-2-cyano-ethenyl]phenoxy]ethanoic acid

Systemtic Name: 2-[2-[(E)-2-(6-bromanyl-4-oxidanylidene-1H-quinazolin-2-yl)-2-cyano-ethenyl]phenoxy]ethanoic acid Openeye Name: 2-[2-[(E)-2-(6-bromo-4-oxo-1H-quinazolin-2-yl)-2-cyano-vinyl]phenoxy]acetic acid CAS Name: 2-[2-[(E)-2-(6-bromo-4-oxo-1H-quinazolin-2-yl)-2-cyanoethenyl]phenoxy]acetic acid IUPAC Name: 2-[2-[(E)-2-(6-bromo-4-oxo-1H-quinazolin-2-yl)-2-cyanoethenyl]phenoxy]acetic acid Traditional Name: 2-[2-[(E)-2-(6-bromo-4-keto-1H-quinazolin-2-yl)-2-cyano-vinyl]phenoxy]acetic acid Formula: C19H12BrN3O4 MolecularWeight: 426.22028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=C(C#N)C2=NC(=O)C3=C(N2)C=CC(=C3)Br)OCC(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)/C=C(\C#N)/C2=NC(=O)C3=C(N2)C=CC(=C3)Br)OCC(=O)O

InChI

InChI=1S/C19H12BrN3O4/c20-13-5-6-15-14(8-13)19(26)23-18(22-15)12(9-21)7-11-3-1-2-4-16(11)27-10-17(24)25/h1-8H,10H2,(H,24,25)(H,22,23,26)/b12-7+