N-[(3Z)-3-(3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]-2-(4-bromanylphenoxy)ethanamide

Systemtic Name: N-[(3Z)-3-(3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]-2-(4-bromanylphenoxy)ethanamide Openeye Name: N-[(3Z)-3-(3H-1,3-benzoxazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]-2-(4-bromophenoxy)acetamide CAS Name: N-[(3Z)-3-(3H-1,3-benzoxazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]-2-(4-bromophenoxy)acetamide IUPAC Name: N-[(3Z)-3-(3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]-2-(4-bromophenoxy)acetamide Traditional Name: N-[(3Z)-3-(3H-1,3-benzoxazol-2-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]-2-(4-bromophenoxy)acetamide Formula: C21H15BrN2O4 MolecularWeight: 439.2588

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=C3C=C(C=CC3=O)NC(=O)COC4=CC=C(C=C4)Br)O2

Isomeric SMILES

C1=CC=C2C(=C1)N/C(=C/3\C=C(C=CC3=O)NC(=O)COC4=CC=C(C=C4)Br)/O2

InChI

InChI=1S/C21H15BrN2O4/c22-13-5-8-15(9-6-13)27-12-20(26)23-14-7-10-18(25)16(11-14)21-24-17-3-1-2-4-19(17)28-21/h1-11,24H,12H2,(H,23,26)/b21-16-