(Z)-2-diazonio-1-methoxy-3-oxidanylidene-3-[2-oxidanylidene-3-pent-4-enyl-1-(phenylmethyl)piperidin-3-yl]prop-1-en-1-olate

Systemtic Name: (Z)-2-diazonio-1-methoxy-3-oxidanylidene-3-[2-oxidanylidene-3-pent-4-enyl-1-(phenylmethyl)piperidin-3-yl]prop-1-en-1-olate Openeye Name: (Z)-3-(1-benzyl-2-oxo-3-pent-4-enyl-3-piperidyl)-2-diazonio-1-methoxy-3-oxo-prop-1-en-1-olate CAS Name: (Z)-2-diazonio-1-methoxy-3-oxo-3-[2-oxo-3-pent-4-enyl-1-(phenylmethyl)-3-piperidinyl]-1-propen-1-olate IUPAC Name: (Z)-3-(1-benzyl-2-oxo-3-pent-4-enylpiperidin-3-yl)-2-diazonio-1-methoxy-3-oxoprop-1-en-1-olate Traditional Name: (Z)-3-(1-benzyl-2-keto-3-pent-4-enyl-3-piperidyl)-2-diazonio-3-keto-1-methoxy-prop-1-en-1-olate Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

COC(=C(C(=O)C1(CCCN(C1=O)CC2=CC=CC=C2)CCCC=C)[N+]#N)[O-]

Isomeric SMILES

CO/C(=C(/C(=O)C1(CCCN(C1=O)CC2=CC=CC=C2)CCCC=C)\[N+]#N)/[O-]

InChI

InChI=1S/C21H25N3O4/c1-3-4-8-12-21(18(25)17(23-22)19(26)28-2)13-9-14-24(20(21)27)15-16-10-6-5-7-11-16/h3,5-7,10-11H,1,4,8-9,12-15H2,2H3