(Z)-4-[2-(4-acetamidophenyl)ethyl]-2-diazonio-1-methoxy-3-oxidanylidene-hept-1-en-1-olate

Systemtic Name: (Z)-4-[2-(4-acetamidophenyl)ethyl]-2-diazonio-1-methoxy-3-oxidanylidene-hept-1-en-1-olate Openeye Name: (Z)-4-[2-(4-acetamidophenyl)ethyl]-2-diazonio-1-methoxy-3-oxo-hept-1-en-1-olate CAS Name: (Z)-4-[2-(4-acetamidophenyl)ethyl]-2-diazonio-1-methoxy-3-oxo-1-hepten-1-olate IUPAC Name: (Z)-4-[2-(4-acetamidophenyl)ethyl]-2-diazonio-1-methoxy-3-oxohept-1-en-1-olate Traditional Name: (Z)-4-[2-(4-acetamidophenyl)ethyl]-2-diazonio-3-keto-1-methoxy-hept-1-en-1-olate Formula: C18H23N3O4 MolecularWeight: 345.39292

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC1=CC=C(C=C1)NC(=O)C)C(=O)C(=C([O-])OC)[N+]#N

Isomeric SMILES

CCCC(CCC1=CC=C(C=C1)NC(=O)C)C(=O)/C(=C(\[O-])/OC)/[N+]#N

InChI

InChI=1S/C18H23N3O4/c1-4-5-14(17(23)16(21-19)18(24)25-3)9-6-13-7-10-15(11-8-13)20-12(2)22/h7-8,10-11,14H,4-6,9H2,1-3H3,(H-,20,22,23,24)