(E)-3-[(2-bromanyl-4-methyl-phenyl)-ethyl-amino]-2-diazonio-1-methoxy-3-oxidanylidene-prop-1-en-1-olate

Systemtic Name: (E)-3-[(2-bromanyl-4-methyl-phenyl)-ethyl-amino]-2-diazonio-1-methoxy-3-oxidanylidene-prop-1-en-1-olate Openeye Name: (E)-3-(2-bromo-N-ethyl-4-methyl-anilino)-2-diazonio-1-methoxy-3-oxo-prop-1-en-1-olate CAS Name: (E)-3-(2-bromo-N-ethyl-4-methylanilino)-2-diazonio-1-methoxy-3-oxo-1-propen-1-olate IUPAC Name: (E)-3-(2-bromo-N-ethyl-4-methylanilino)-2-diazonio-1-methoxy-3-oxoprop-1-en-1-olate Traditional Name: (E)-3-(2-bromo-N-ethyl-4-methyl-anilino)-2-diazonio-3-keto-1-methoxy-prop-1-en-1-olate Formula: C13H14BrN3O3 MolecularWeight: 340.17256

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=C(C=C(C=C1)C)Br)C(=O)C(=C([O-])OC)[N+]#N

Isomeric SMILES

CCN(C1=C(C=C(C=C1)C)Br)C(=O)/C(=C(/[O-])\OC)/[N+]#N

InChI

InChI=1S/C13H14BrN3O3/c1-4-17(10-6-5-8(2)7-9(10)14)12(18)11(16-15)13(19)20-3/h5-7H,4H2,1-3H3