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

Systemtic Name: (E,4S,5S)-2-diazonio-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxidanyl-1-phenyl-hept-2-en-3-olate Openeye Name: (E,4S,5S)-4-(tert-butoxycarbonylamino)-2-diazonio-1-hydroxy-5-methyl-1-phenyl-hept-2-en-3-olate CAS Name: (E,4S,5S)-2-diazonio-1-hydroxy-5-methyl-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-phenyl-2-hepten-3-olate IUPAC Name: (E,4S,5S)-2-diazonio-1-hydroxy-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylhept-2-en-3-olate Traditional Name: (E,4S,5S)-4-(tert-butoxycarbonylamino)-2-diazonio-1-hydroxy-5-methyl-1-phenyl-hept-2-en-3-olate Formula: C19H27N3O4 MolecularWeight: 361.43538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O4/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/h7-12,14,16,23H,6H2,1-5H3,(H-,21,24,25)/b17-15+/t12-,14-,16?/m0/s1