(Z)-2-diazonio-3-[3,7-dimethyloct-6-enoyl-(phenylmethyl)amino]-1-ethoxy-3-oxidanylidene-prop-1-en-1-olate

Systemtic Name: (Z)-2-diazonio-3-[3,7-dimethyloct-6-enoyl-(phenylmethyl)amino]-1-ethoxy-3-oxidanylidene-prop-1-en-1-olate Openeye Name: (Z)-3-[benzyl(3,7-dimethyloct-6-enoyl)amino]-2-diazonio-1-ethoxy-3-oxo-prop-1-en-1-olate CAS Name: (Z)-2-diazonio-3-[(3,7-dimethyl-1-oxooct-6-enyl)-(phenylmethyl)amino]-1-ethoxy-3-oxo-1-propen-1-olate IUPAC Name: (Z)-3-[benzyl(3,7-dimethyloct-6-enoyl)amino]-2-diazonio-1-ethoxy-3-oxoprop-1-en-1-olate Traditional Name: (Z)-3-[benzyl(3,7-dimethyloct-6-enoyl)amino]-2-diazonio-1-ethoxy-3-keto-prop-1-en-1-olate Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O4/c1-5-29-22(28)20(24-23)21(27)25(15-18-12-7-6-8-13-18)19(26)14-17(4)11-9-10-16(2)3/h6-8,10,12-13,17H,5,9,11,14-15H2,1-4H3