(Z)-2-diazonio-1-methoxy-5-(3-methyl-1,5-dihydro-2,4-benzodioxepin-3-yl)-3-oxidanylidene-pent-1-en-1-olate

Systemtic Name: (Z)-2-diazonio-1-methoxy-5-(3-methyl-1,5-dihydro-2,4-benzodioxepin-3-yl)-3-oxidanylidene-pent-1-en-1-olate Openeye Name: (Z)-2-diazonio-1-methoxy-5-(3-methyl-1,5-dihydro-2,4-benzodioxepin-3-yl)-3-oxo-pent-1-en-1-olate CAS Name: (Z)-2-diazonio-1-methoxy-5-(3-methyl-1,5-dihydro-2,4-benzodioxepin-3-yl)-3-oxo-1-penten-1-olate IUPAC Name: (Z)-2-diazonio-1-methoxy-5-(3-methyl-1,5-dihydro-2,4-benzodioxepin-3-yl)-3-oxopent-1-en-1-olate Traditional Name: (Z)-2-diazonio-3-keto-1-methoxy-5-(3-methyl-1,5-dihydro-2,4-benzodioxepin-3-yl)pent-1-en-1-olate Formula: C16H18N2O5 MolecularWeight: 318.32452

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC2=CC=CC=C2CO1)CCC(=O)C(=C([O-])OC)[N+]#N

Isomeric SMILES

CC1(OCC2=CC=CC=C2CO1)CCC(=O)/C(=C(\[O-])/OC)/[N+]#N

InChI

InChI=1S/C16H18N2O5/c1-16(8-7-13(19)14(18-17)15(20)21-2)22-9-11-5-3-4-6-12(11)10-23-16/h3-6H,7-10H2,1-2H3