(E,4S,5S)-2-diazonio-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-1-phenyl-hept-1-en-1-olate

Systemtic Name: (E,4S,5S)-2-diazonio-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-1-phenyl-hept-1-en-1-olate Openeye Name: (E,4S,5S)-4-(tert-butoxycarbonylamino)-2-diazonio-5-methyl-3-oxo-1-phenyl-hept-1-en-1-olate CAS Name: (E,4S,5S)-2-diazonio-5-methyl-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-oxo-1-phenyl-1-hepten-1-olate IUPAC Name: (E,4S,5S)-2-diazonio-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxo-1-phenylhept-1-en-1-olate Traditional Name: (E,4S,5S)-4-(tert-butoxycarbonylamino)-2-diazonio-3-keto-5-methyl-1-phenyl-hept-1-en-1-olate Formula: C19H25N3O4 MolecularWeight: 359.4195

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)C(=C(C1=CC=CC=C1)[O-])[N+]#N)NC(=O)OC(C)(C)C

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)/C(=C(/C1=CC=CC=C1)\[O-])/[N+]#N)NC(=O)OC(C)(C)C

InChI

InChI=1S/C19H25N3O4/c1-6-12(2)14(21-18(25)26-19(3,4)5)17(24)15(22-20)16(23)13-10-8-7-9-11-13/h7-12,14H,6H2,1-5H3,(H-,21,23,24,25)/t12-,14-/m0/s1