(E)-3-diazonio-5-[(4-ethoxyphenyl)-(phenylmethyl)amino]-5-oxidanylidene-pent-2-en-2-olate

Systemtic Name: (E)-3-diazonio-5-[(4-ethoxyphenyl)-(phenylmethyl)amino]-5-oxidanylidene-pent-2-en-2-olate Openeye Name: (E)-5-(N-benzyl-4-ethoxy-anilino)-3-diazonio-5-oxo-pent-2-en-2-olate CAS Name: (E)-3-diazonio-5-(4-ethoxy-N-(phenylmethyl)anilino)-5-oxo-2-penten-2-olate IUPAC Name: (E)-5-(N-benzyl-4-ethoxyanilino)-3-diazonio-5-oxopent-2-en-2-olate Traditional Name: (E)-5-(N-benzyl-4-ethoxy-anilino)-3-diazonio-5-keto-pent-2-en-2-olate Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(CC2=CC=CC=C2)C(=O)CC(=C(C)[O-])[N+]#N

Isomeric SMILES

CCOC1=CC=C(C=C1)N(CC2=CC=CC=C2)C(=O)C/C(=C(/C)\[O-])/[N+]#N

InChI

InChI=1S/C20H21N3O3/c1-3-26-18-11-9-17(10-12-18)23(14-16-7-5-4-6-8-16)20(25)13-19(22-21)15(2)24/h4-12H,3,13-14H2,1-2H3/b19-15+