(E)-3-[bis[(1S)-1-phenylethyl]amino]-2-diazonio-1-ethoxy-3-oxidanylidene-prop-1-en-1-olate

Systemtic Name: (E)-3-[bis[(1S)-1-phenylethyl]amino]-2-diazonio-1-ethoxy-3-oxidanylidene-prop-1-en-1-olate Openeye Name: (E)-3-[bis[(1S)-1-phenylethyl]amino]-2-diazonio-1-ethoxy-3-oxo-prop-1-en-1-olate CAS Name: (E)-3-[bis[(1S)-1-phenylethyl]amino]-2-diazonio-1-ethoxy-3-oxo-1-propen-1-olate IUPAC Name: (E)-3-[bis[(1S)-1-phenylethyl]amino]-2-diazonio-1-ethoxy-3-oxoprop-1-en-1-olate Traditional Name: (E)-3-[bis[(1S)-1-phenylethyl]amino]-2-diazonio-1-ethoxy-3-keto-prop-1-en-1-olate Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C(=O)N(C(C)C1=CC=CC=C1)C(C)C2=CC=CC=C2)[N+]#N)[O-]

Isomeric SMILES

CCO/C(=C(\C(=O)N([C@@H](C)C1=CC=CC=C1)[C@@H](C)C2=CC=CC=C2)/[N+]#N)/[O-]

InChI

InChI=1S/C21H23N3O3/c1-4-27-21(26)19(23-22)20(25)24(15(2)17-11-7-5-8-12-17)16(3)18-13-9-6-10-14-18/h5-16H,4H2,1-3H3/t15-,16-/m0/s1