(E)-2-diazonio-1-ethoxy-3-[3-methyl-2-oxidanylidene-1-(phenylmethyl)piperidin-3-yl]-3-oxidanylidene-prop-1-en-1-olate

Systemtic Name: (E)-2-diazonio-1-ethoxy-3-[3-methyl-2-oxidanylidene-1-(phenylmethyl)piperidin-3-yl]-3-oxidanylidene-prop-1-en-1-olate Openeye Name: (E)-3-(1-benzyl-3-methyl-2-oxo-3-piperidyl)-2-diazonio-1-ethoxy-3-oxo-prop-1-en-1-olate CAS Name: (E)-2-diazonio-1-ethoxy-3-[3-methyl-2-oxo-1-(phenylmethyl)-3-piperidinyl]-3-oxo-1-propen-1-olate IUPAC Name: (E)-3-(1-benzyl-3-methyl-2-oxopiperidin-3-yl)-2-diazonio-1-ethoxy-3-oxoprop-1-en-1-olate Traditional Name: (E)-3-(1-benzyl-2-keto-3-methyl-3-piperidyl)-2-diazonio-1-ethoxy-3-keto-prop-1-en-1-olate Formula: C18H21N3O4 MolecularWeight: 343.37704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O4/c1-3-25-16(23)14(20-19)15(22)18(2)10-7-11-21(17(18)24)12-13-8-5-4-6-9-13/h4-6,8-9H,3,7,10-12H2,1-2H3