(Z)-3-[5-(4-bromophenyl)-3-phenylazanyl-thiophen-2-yl]-2-diazonio-1-ethoxy-3-oxidanylidene-prop-1-en-1-olate

Systemtic Name: (Z)-3-[5-(4-bromophenyl)-3-phenylazanyl-thiophen-2-yl]-2-diazonio-1-ethoxy-3-oxidanylidene-prop-1-en-1-olate Openeye Name: (Z)-3-[3-anilino-5-(4-bromophenyl)-2-thienyl]-2-diazonio-1-ethoxy-3-oxo-prop-1-en-1-olate CAS Name: (Z)-3-[3-anilino-5-(4-bromophenyl)-2-thiophenyl]-2-diazonio-1-ethoxy-3-oxo-1-propen-1-olate IUPAC Name: (Z)-3-[3-anilino-5-(4-bromophenyl)thiophen-2-yl]-2-diazonio-1-ethoxy-3-oxoprop-1-en-1-olate Traditional Name: (Z)-3-[3-anilino-5-(4-bromophenyl)-2-thienyl]-2-diazonio-1-ethoxy-3-keto-prop-1-en-1-olate Formula: C21H16BrN3O3S MolecularWeight: 470.33904

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C(=O)C1=C(C=C(S1)C2=CC=C(C=C2)Br)NC3=CC=CC=C3)[N+]#N)[O-]

Isomeric SMILES

CCO/C(=C(/C(=O)C1=C(C=C(S1)C2=CC=C(C=C2)Br)NC3=CC=CC=C3)\[N+]#N)/[O-]

InChI

InChI=1S/C21H16BrN3O3S/c1-2-28-21(27)18(25-23)19(26)20-16(24-15-6-4-3-5-7-15)12-17(29-20)13-8-10-14(22)11-9-13/h3-12H,2H2,1H3,(H-,24,26,27)