(E)-4-[3-(4-chlorophenyl)carbonyl-2-methoxy-phenyl]-1-diazonio-but-1-en-2-olate

Systemtic Name: (E)-4-[3-(4-chlorophenyl)carbonyl-2-methoxy-phenyl]-1-diazonio-but-1-en-2-olate Openeye Name: (E)-4-[3-(4-chlorobenzoyl)-2-methoxy-phenyl]-1-diazonio-but-1-en-2-olate CAS Name: (E)-4-[3-[(4-chlorophenyl)-oxomethyl]-2-methoxyphenyl]-1-diazonio-1-buten-2-olate IUPAC Name: (E)-4-[3-(4-chlorobenzoyl)-2-methoxyphenyl]-1-diazoniobut-1-en-2-olate Traditional Name: (E)-4-[3-(4-chlorobenzoyl)-2-methoxy-phenyl]-1-diazonio-but-1-en-2-olate Formula: C18H15ClN2O3 MolecularWeight: 342.7763

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC=C1CCC(=C[N+]#N)[O-])C(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

COC1=C(C=CC=C1CC/C(=C\[N+]#N)/[O-])C(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H15ClN2O3/c1-24-18-13(7-10-15(22)11-21-20)3-2-4-16(18)17(23)12-5-8-14(19)9-6-12/h2-6,8-9,11H,7,10H2,1H3/b15-11+