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

Systemtic Name: N-[(4E)-4-(3H-1,3-benzoxazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]-5-bromanyl-2-methoxy-benzamide Openeye Name: N-[(4E)-4-(3H-1,3-benzoxazol-2-ylidene)-3-oxo-cyclohexa-1,5-dien-1-yl]-5-bromo-2-methoxy-benzamide CAS Name: N-[(4E)-4-(3H-1,3-benzoxazol-2-ylidene)-3-oxo-1-cyclohexa-1,5-dienyl]-5-bromo-2-methoxybenzamide IUPAC Name: N-[(4E)-4-(3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]-5-bromo-2-methoxybenzamide Traditional Name: N-[(4E)-4-(3H-1,3-benzoxazol-2-ylidene)-3-keto-cyclohexa-1,5-dien-1-yl]-5-bromo-2-methoxy-benzamide Formula: C21H15BrN2O4 MolecularWeight: 439.2588

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(=O)NC2=CC(=O)C(=C3NC4=CC=CC=C4O3)C=C2

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(=O)NC2=CC(=O)/C(=C/3\NC4=CC=CC=C4O3)/C=C2

InChI

InChI=1S/C21H15BrN2O4/c1-27-18-9-6-12(22)10-15(18)20(26)23-13-7-8-14(17(25)11-13)21-24-16-4-2-3-5-19(16)28-21/h2-11,24H,1H3,(H,23,26)/b21-14+