(5-azanylidene-3-methyl-1,2-oxazol-4-ylidene)-[(3-bromanyl-4-methoxy-phenyl)methoxy]methanolate

Systemtic Name: (5-azanylidene-3-methyl-1,2-oxazol-4-ylidene)-[(3-bromanyl-4-methoxy-phenyl)methoxy]methanolate Openeye Name: (3-bromo-4-methoxy-phenyl)methoxy-(5-imino-3-methyl-isoxazol-4-ylidene)methanolate CAS Name: (3-bromo-4-methoxyphenyl)methoxy-(5-imino-3-methyl-4-isoxazolylidene)methanolate IUPAC Name: (3-bromo-4-methoxyphenyl)methoxy-(5-imino-3-methyl-1,2-oxazol-4-ylidene)methanolate Traditional Name: (3-bromo-4-methoxy-benzyl)oxy-(5-imino-3-methyl-2-isoxazolin-4-ylidene)methanolate Formula: C13H12BrN2O4- MolecularWeight: 340.14938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=N)C1=C([O-])OCC2=CC(=C(C=C2)OC)Br

Isomeric SMILES

CC1=NOC(=N)C1=C([O-])OCC2=CC(=C(C=C2)OC)Br

InChI

InChI=1S/C13H13BrN2O4/c1-7-11(12(15)20-16-7)13(17)19-6-8-3-4-10(18-2)9(14)5-8/h3-5,15,17H,6H2,1-2H3/p-1