(E)-3-[[3-(2-bromanylethanoylamino)phenyl]amino]-2-oxidanyl-3-oxidanylidene-prop-1-ene-1-diazonium

Systemtic Name: (E)-3-[[3-(2-bromanylethanoylamino)phenyl]amino]-2-oxidanyl-3-oxidanylidene-prop-1-ene-1-diazonium Openeye Name: (E)-3-[3-[(2-bromoacetyl)amino]anilino]-2-hydroxy-3-oxo-prop-1-ene-1-diazonium CAS Name: (E)-3-[3-[(2-bromo-1-oxoethyl)amino]anilino]-2-hydroxy-3-oxo-1-propene-1-diazonium IUPAC Name: (E)-3-[3-[(2-bromoacetyl)amino]anilino]-2-hydroxy-3-oxoprop-1-ene-1-diazonium Traditional Name: (E)-3-[3-[(2-bromoacetyl)amino]anilino]-2-hydroxy-3-keto-prop-1-ene-1-diazonium Formula: C11H10BrN4O3+ MolecularWeight: 326.1261

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H9BrN4O3/c12-5-10(18)15-7-2-1-3-8(4-7)16-11(19)9(17)6-14-13/h1-4,6H,5H2,(H2-,15,16,17,18,19)/p+1/b9-6+