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

Systemtic Name: 3-bromanyl-N-[(3E)-3-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]benzamide Openeye Name: 3-bromo-N-[(3E)-3-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]benzamide CAS Name: 3-bromo-N-[(3E)-3-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]benzamide IUPAC Name: 3-bromo-N-[(3E)-3-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]benzamide Traditional Name: 3-bromo-N-[(3E)-4-keto-3-(5-methyl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-1,5-dien-1-yl]benzamide Formula: C21H15BrN2O3 MolecularWeight: 423.2594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=C3C=C(C=CC3=O)NC(=O)C4=CC(=CC=C4)Br)N2

Isomeric SMILES

CC1=CC2=C(C=C1)O/C(=C/3\C=C(C=CC3=O)NC(=O)C4=CC(=CC=C4)Br)/N2

InChI

InChI=1S/C21H15BrN2O3/c1-12-5-8-19-17(9-12)24-21(27-19)16-11-15(6-7-18(16)25)23-20(26)13-3-2-4-14(22)10-13/h2-11,24H,1H3,(H,23,26)/b21-16+