(Z,5S)-2-diazonio-5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-1-prop-2-enoxy-undec-1-en-1-olate

Systemtic Name: (Z,5S)-2-diazonio-5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-1-prop-2-enoxy-undec-1-en-1-olate Openeye Name: (Z,5S)-1-allyloxy-5-(tert-butoxycarbonylamino)-2-diazonio-3-oxo-undec-1-en-1-olate CAS Name: (Z,5S)-2-diazonio-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-oxo-1-prop-2-enoxy-1-undecen-1-olate IUPAC Name: (Z,5S)-2-diazonio-5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxo-1-prop-2-enoxyundec-1-en-1-olate Traditional Name: (Z,5S)-1-allyloxy-5-(tert-butoxycarbonylamino)-2-diazonio-3-keto-undec-1-en-1-olate Formula: C19H31N3O5 MolecularWeight: 381.46654

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC(=O)C(=C([O-])OCC=C)[N+]#N)NC(=O)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C19H31N3O5/c1-6-8-9-10-11-14(21-18(25)27-19(3,4)5)13-15(23)16(22-20)17(24)26-12-7-2/h7,14H,2,6,8-13H2,1,3-5H3,(H-,21,23,24,25)/t14-/m0/s1