(E)-3-[tert-butyl-(phenylmethyl)amino]-1-ethoxy-1-oxidanyl-3-oxidanylidene-prop-1-ene-2-diazonium

Systemtic Name: (E)-3-[tert-butyl-(phenylmethyl)amino]-1-ethoxy-1-oxidanyl-3-oxidanylidene-prop-1-ene-2-diazonium Openeye Name: (E)-3-[benzyl(tert-butyl)amino]-1-ethoxy-1-hydroxy-3-oxo-prop-1-ene-2-diazonium CAS Name: (E)-3-[tert-butyl-(phenylmethyl)amino]-1-ethoxy-1-hydroxy-3-oxo-1-propene-2-diazonium IUPAC Name: (E)-3-[benzyl(tert-butyl)amino]-1-ethoxy-1-hydroxy-3-oxoprop-1-ene-2-diazonium Traditional Name: (E)-3-[benzyl(tert-butyl)amino]-1-ethoxy-1-hydroxy-3-keto-prop-1-ene-2-diazonium Formula: C16H22N3O3+ MolecularWeight: 304.36418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O3/c1-5-22-15(21)13(18-17)14(20)19(16(2,3)4)11-12-9-7-6-8-10-12/h6-10H,5,11H2,1-4H3/p+1