N-[(3E)-3-(5,6-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]-4-iodanyl-benzamide

Systemtic Name: N-[(3E)-3-(5,6-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]-4-iodanyl-benzamide Openeye Name: N-[(3E)-3-(5,6-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]-4-iodo-benzamide CAS Name: N-[(3E)-3-(5,6-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]-4-iodobenzamide IUPAC Name: N-[(3E)-3-(5,6-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]-4-iodobenzamide Traditional Name: N-[(3E)-3-(5,6-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]-4-iodo-benzamide Formula: C22H17IN2O3 MolecularWeight: 484.28645

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)OC(=C3C=C(C=CC3=O)NC(=O)C4=CC=C(C=C4)I)N2

Isomeric SMILES

CC1=CC2=C(C=C1C)O/C(=C/3\C=C(C=CC3=O)NC(=O)C4=CC=C(C=C4)I)/N2

InChI

InChI=1S/C22H17IN2O3/c1-12-9-18-20(10-13(12)2)28-22(25-18)17-11-16(7-8-19(17)26)24-21(27)14-3-5-15(23)6-4-14/h3-11,25H,1-2H3,(H,24,27)/b22-17+