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

Systemtic Name: N-[2-(3-bromanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]-2-(2-nitrophenoxy)ethanamide Openeye Name: N-[2-(3-bromo-4-oxo-cyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]-2-(2-nitrophenoxy)acetamide CAS Name: N-[2-(3-bromo-4-oxo-1-cyclohexa-2,5-dienylidene)-3H-1,3-benzoxazol-5-yl]-2-(2-nitrophenoxy)acetamide IUPAC Name: N-[2-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]-2-(2-nitrophenoxy)acetamide Traditional Name: N-[2-(3-bromo-4-keto-cyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]-2-(2-nitrophenoxy)acetamide Formula: C21H14BrN3O6 MolecularWeight: 484.25636

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)[N+](=O)[O-])OCC(=O)NC2=CC3=C(C=C2)OC(=C4C=CC(=O)C(=C4)Br)N3

Isomeric SMILES

C1=CC=C(C(=C1)[N+](=O)[O-])OCC(=O)NC2=CC3=C(C=C2)OC(=C4C=CC(=O)C(=C4)Br)N3

InChI

InChI=1S/C21H14BrN3O6/c22-14-9-12(5-7-17(14)26)21-24-15-10-13(6-8-18(15)31-21)23-20(27)11-30-19-4-2-1-3-16(19)25(28)29/h1-10,24H,11H2,(H,23,27)