(E)-3-[tert-butyl-(phenylmethyl)amino]-2-diazonio-1-ethoxy-3-oxidanylidene-prop-1-en-1-olate

Systemtic Name: (E)-3-[tert-butyl-(phenylmethyl)amino]-2-diazonio-1-ethoxy-3-oxidanylidene-prop-1-en-1-olate Openeye Name: (E)-3-[benzyl(tert-butyl)amino]-2-diazonio-1-ethoxy-3-oxo-prop-1-en-1-olate CAS Name: (E)-3-[tert-butyl-(phenylmethyl)amino]-2-diazonio-1-ethoxy-3-oxo-1-propen-1-olate IUPAC Name: (E)-3-[benzyl(tert-butyl)amino]-2-diazonio-1-ethoxy-3-oxoprop-1-en-1-olate Traditional Name: (E)-3-[benzyl(tert-butyl)amino]-2-diazonio-1-ethoxy-3-keto-prop-1-en-1-olate Formula: C16H21N3O3 MolecularWeight: 303.35624

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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