(E)-2-diazonio-1-[hex-5-ynoyl-(phenylmethyl)amino]-3-oxidanylidene-but-1-en-1-olate

Systemtic Name: (E)-2-diazonio-1-[hex-5-ynoyl-(phenylmethyl)amino]-3-oxidanylidene-but-1-en-1-olate Openeye Name: (E)-1-[benzyl(hex-5-ynoyl)amino]-2-diazonio-3-oxo-but-1-en-1-olate CAS Name: (E)-2-diazonio-3-oxo-1-[1-oxohex-5-ynyl-(phenylmethyl)amino]-1-buten-1-olate IUPAC Name: (E)-1-[benzyl(hex-5-ynoyl)amino]-2-diazonio-3-oxobut-1-en-1-olate Traditional Name: (E)-1-[benzyl(hex-5-ynoyl)amino]-2-diazonio-3-keto-but-1-en-1-olate Formula: C17H17N3O3 MolecularWeight: 311.33518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O3/c1-3-4-6-11-15(22)20(12-14-9-7-5-8-10-14)17(23)16(19-18)13(2)21/h1,5,7-10H,4,6,11-12H2,2H3