(Z)-1-diazonio-3-(4-phenylmethoxyphenyl)-4-pyrrol-1-yl-but-1-en-2-olate

Systemtic Name: (Z)-1-diazonio-3-(4-phenylmethoxyphenyl)-4-pyrrol-1-yl-but-1-en-2-olate Openeye Name: (Z)-3-(4-benzyloxyphenyl)-1-diazonio-4-pyrrol-1-yl-but-1-en-2-olate CAS Name: (Z)-1-diazonio-3-(4-phenylmethoxyphenyl)-4-(1-pyrrolyl)-1-buten-2-olate IUPAC Name: (Z)-1-diazonio-3-(4-phenylmethoxyphenyl)-4-pyrrol-1-ylbut-1-en-2-olate Traditional Name: (Z)-3-(4-benzoxyphenyl)-1-diazonio-4-pyrrol-1-yl-but-1-en-2-olate Formula: C21H19N3O2 MolecularWeight: 345.39446

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)C(CN3C=CC=C3)C(=C[N+]#N)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C(CN3C=CC=C3)/C(=C/[N+]#N)/[O-]

InChI

InChI=1S/C21H19N3O2/c22-23-14-21(25)20(15-24-12-4-5-13-24)18-8-10-19(11-9-18)26-16-17-6-2-1-3-7-17/h1-14,20H,15-16H2/b21-14-