(E)-1-diazonio-3-[[3-(4-hydroxyphenyl)-2-(iodanylamino)propanoyl]amino]but-1-en-2-olate

Systemtic Name: (E)-1-diazonio-3-[[3-(4-hydroxyphenyl)-2-(iodanylamino)propanoyl]amino]but-1-en-2-olate Openeye Name: (E)-1-diazonio-3-[[3-(4-hydroxyphenyl)-2-(iodoamino)propanoyl]amino]but-1-en-2-olate CAS Name: (E)-1-diazonio-3-[[3-(4-hydroxyphenyl)-2-(iodoamino)-1-oxopropyl]amino]-1-buten-2-olate IUPAC Name: (E)-1-diazonio-3-[[3-(4-hydroxyphenyl)-2-(iodoamino)propanoyl]amino]but-1-en-2-olate Traditional Name: (E)-1-diazonio-3-[[3-(4-hydroxyphenyl)-2-(iodoamino)propanoyl]amino]but-1-en-2-olate Formula: C13H15IN4O3 MolecularWeight: 402.18767

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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)/b12-7+