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

Systemtic Name: 2-bromanyl-N-[(4E)-4-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]benzamide Openeye Name: 2-bromo-N-[(4E)-4-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-3-oxo-cyclohexa-1,5-dien-1-yl]benzamide CAS Name: 2-bromo-N-[(4E)-4-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-3-oxo-1-cyclohexa-1,5-dienyl]benzamide IUPAC Name: 2-bromo-N-[(4E)-4-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]benzamide Traditional Name: 2-bromo-N-[(4E)-3-keto-4-(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=CC(=CC3=O)NC(=O)C4=CC=CC=C4Br)N2

Isomeric SMILES

CC1=CC2=C(C=C1)O/C(=C/3\C=CC(=CC3=O)NC(=O)C4=CC=CC=C4Br)/N2

InChI

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