2-[2-[(E)-2-(6-bromanyl-4-oxidanylidene-1H-quinazolin-2-yl)-2-cyano-ethenyl]-4-nitro-phenoxy]-N-phenyl-ethanamide

Systemtic Name: 2-[2-[(E)-2-(6-bromanyl-4-oxidanylidene-1H-quinazolin-2-yl)-2-cyano-ethenyl]-4-nitro-phenoxy]-N-phenyl-ethanamide Openeye Name: 2-[2-[(E)-2-(6-bromo-4-oxo-1H-quinazolin-2-yl)-2-cyano-vinyl]-4-nitro-phenoxy]-N-phenyl-acetamide CAS Name: 2-[2-[(E)-2-(6-bromo-4-oxo-1H-quinazolin-2-yl)-2-cyanoethenyl]-4-nitrophenoxy]-N-phenylacetamide IUPAC Name: 2-[2-[(E)-2-(6-bromo-4-oxo-1H-quinazolin-2-yl)-2-cyanoethenyl]-4-nitrophenoxy]-N-phenylacetamide Traditional Name: 2-[2-[(E)-2-(6-bromo-4-keto-1H-quinazolin-2-yl)-2-cyano-vinyl]-4-nitro-phenoxy]-N-phenyl-acetamide Formula: C25H16BrN5O5 MolecularWeight: 546.32904

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2)[N+](=O)[O-])C=C(C#N)C3=NC(=O)C4=C(N3)C=CC(=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2)[N+](=O)[O-])/C=C(\C#N)/C3=NC(=O)C4=C(N3)C=CC(=C4)Br

InChI

InChI=1S/C25H16BrN5O5/c26-17-6-8-21-20(12-17)25(33)30-24(29-21)16(13-27)10-15-11-19(31(34)35)7-9-22(15)36-14-23(32)28-18-4-2-1-3-5-18/h1-12H,14H2,(H,28,32)(H,29,30,33)/b16-10+