(E)-3-(carboxyamino)-2-oxidanyl-4-(4-phenylmethoxyphenyl)but-1-ene-1-diazonium

Systemtic Name: (E)-3-(carboxyamino)-2-oxidanyl-4-(4-phenylmethoxyphenyl)but-1-ene-1-diazonium Openeye Name: (E)-4-(4-benzyloxyphenyl)-3-(carboxyamino)-2-hydroxy-but-1-ene-1-diazonium CAS Name: (E)-3-(carboxyamino)-2-hydroxy-4-(4-phenylmethoxyphenyl)-1-butene-1-diazonium IUPAC Name: (E)-3-(carboxyamino)-2-hydroxy-4-(4-phenylmethoxyphenyl)but-1-ene-1-diazonium Traditional Name: (E)-4-(4-benzoxyphenyl)-3-(carboxyamino)-2-hydroxy-but-1-ene-1-diazonium Formula: C18H18N3O4+ MolecularWeight: 340.35322

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)CC(C(=C[N+]#N)O)NC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)CC(/C(=C\[N+]#N)/O)NC(=O)O

InChI

InChI=1S/C18H17N3O4/c19-20-11-17(22)16(21-18(23)24)10-13-6-8-15(9-7-13)25-12-14-4-2-1-3-5-14/h1-9,11,16,21H,10,12H2,(H-,22,23,24)/p+1/b17-11+