(E,3S)-4-(carboxyamino)-3-(4-methoxyphenyl)-2-oxidanyl-but-1-ene-1-diazonium

Systemtic Name: (E,3S)-4-(carboxyamino)-3-(4-methoxyphenyl)-2-oxidanyl-but-1-ene-1-diazonium Openeye Name: (E,3S)-4-(carboxyamino)-2-hydroxy-3-(4-methoxyphenyl)but-1-ene-1-diazonium CAS Name: (E,3S)-4-(carboxyamino)-2-hydroxy-3-(4-methoxyphenyl)-1-butene-1-diazonium IUPAC Name: (E,3S)-4-(carboxyamino)-2-hydroxy-3-(4-methoxyphenyl)but-1-ene-1-diazonium Traditional Name: (E,3S)-4-(carboxyamino)-2-hydroxy-3-(4-methoxyphenyl)but-1-ene-1-diazonium Formula: C12H14N3O4+ MolecularWeight: 264.25726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)O)C(=C[N+]#N)O

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H](CNC(=O)O)/C(=C\[N+]#N)/O

InChI

InChI=1S/C12H13N3O4/c1-19-9-4-2-8(3-5-9)10(6-14-12(17)18)11(16)7-15-13/h2-5,7,10,14H,6H2,1H3,(H-,16,17,18)/p+1/b11-7+/t10-/m1/s1