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

Systemtic Name: (Z)-3-[3-[(4-bromophenyl)amino]-5-(4-methoxyphenyl)thiophen-2-yl]-2-diazonio-1-ethoxy-3-oxidanylidene-prop-1-en-1-olate Openeye Name: (Z)-3-[3-(4-bromoanilino)-5-(4-methoxyphenyl)-2-thienyl]-2-diazonio-1-ethoxy-3-oxo-prop-1-en-1-olate CAS Name: (Z)-3-[3-(4-bromoanilino)-5-(4-methoxyphenyl)-2-thiophenyl]-2-diazonio-1-ethoxy-3-oxo-1-propen-1-olate IUPAC Name: (Z)-3-[3-(4-bromoanilino)-5-(4-methoxyphenyl)thiophen-2-yl]-2-diazonio-1-ethoxy-3-oxoprop-1-en-1-olate Traditional Name: (Z)-3-[3-(4-bromoanilino)-5-(4-methoxyphenyl)-2-thienyl]-2-diazonio-1-ethoxy-3-keto-prop-1-en-1-olate Formula: C22H18BrN3O4S MolecularWeight: 500.36502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18BrN3O4S/c1-3-30-22(28)19(26-24)20(27)21-17(25-15-8-6-14(23)7-9-15)12-18(31-21)13-4-10-16(29-2)11-5-13/h4-12H,3H2,1-2H3,(H-,25,27,28)