(E)-3-[[3-(4-hydroxyphenyl)-2-(iodanylamino)propanoyl]amino]-2-oxidanyl-but-1-ene-1-diazonium

Systemtic Name: (E)-3-[[3-(4-hydroxyphenyl)-2-(iodanylamino)propanoyl]amino]-2-oxidanyl-but-1-ene-1-diazonium Openeye Name: (E)-2-hydroxy-3-[[3-(4-hydroxyphenyl)-2-(iodoamino)propanoyl]amino]but-1-ene-1-diazonium CAS Name: (E)-2-hydroxy-3-[[3-(4-hydroxyphenyl)-2-(iodoamino)-1-oxopropyl]amino]-1-butene-1-diazonium IUPAC Name: (E)-2-hydroxy-3-[[3-(4-hydroxyphenyl)-2-(iodoamino)propanoyl]amino]but-1-ene-1-diazonium Traditional Name: (E)-2-hydroxy-3-[[3-(4-hydroxyphenyl)-2-(iodoamino)propanoyl]amino]but-1-ene-1-diazonium Formula: C13H16IN4O3+ MolecularWeight: 403.19561

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=C[N+]#N)O)NC(=O)C(CC1=CC=C(C=C1)O)NI

Isomeric SMILES

CC(/C(=C\[N+]#N)/O)NC(=O)C(CC1=CC=C(C=C1)O)NI

InChI

InChI=1S/C13H15IN4O3/c1-8(12(20)7-16-15)17-13(21)11(18-14)6-9-2-4-10(19)5-3-9/h2-5,7-8,11,18H,6H2,1H3,(H2-,17,19,20,21)/p+1/b12-7+