[4-(4-cyanophenyl)phenyl] 2-(7-bromanyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoate

Systemtic Name: [4-(4-cyanophenyl)phenyl] 2-(7-bromanyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoate Openeye Name: [4-(4-cyanophenyl)phenyl] 2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)acetate CAS Name: 2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)acetic acid [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] 2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)acetate Traditional Name: 2-(7-bromo-3-keto-1,4-benzoxazin-4-yl)acetic acid [4-(4-cyanophenyl)phenyl] ester Formula: C23H15BrN2O4 MolecularWeight: 463.2802

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(O1)C=C(C=C2)Br)CC(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1C(=O)N(C2=C(O1)C=C(C=C2)Br)CC(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H15BrN2O4/c24-18-7-10-20-21(11-18)29-14-22(27)26(20)13-23(28)30-19-8-5-17(6-9-19)16-3-1-15(12-25)2-4-16/h1-11H,13-14H2