6-methoxycarbonyl-9-methyl-benzo[b][1]benzoxepine-3-diazonium chloride

Systemtic Name: 6-methoxycarbonyl-9-methyl-benzo[b][1]benzoxepine-3-diazonium chloride Openeye Name: 6-methoxycarbonyl-9-methyl-benzo[b][1]benzoxepine-3-diazonium chloride CAS Name: 6-methoxycarbonyl-9-methyl-3-benzo[b][1]benzoxepindiazonium chloride IUPAC Name: 6-methoxycarbonyl-9-methylbenzo[b][1]benzoxepine-3-diazonium chloride Traditional Name: 6-carbomethoxy-9-methyl-benzo[b][1]benzoxepin-3-diazonium chloride Formula: C17H13ClN2O3 MolecularWeight: 328.74972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC3=C(O2)C=CC(=C3)[N+]#N)C(=O)OC.[Cl-]

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC3=C(O2)C=CC(=C3)[N+]#N)C(=O)OC.[Cl-]

InChI

InChI=1S/C17H13N2O3.ClH/c1-10-3-5-13-14(17(20)21-2)9-11-8-12(19-18)4-6-15(11)22-16(13)7-10;/h3-9H,1-2H3;1H/q+1;/p-1