3-[[3,5-bis(methoxycarbonyl)phenyl]carbamoyl]-4-oxidanyl-naphthalene-1-diazonium bromide

Systemtic Name: 3-[[3,5-bis(methoxycarbonyl)phenyl]carbamoyl]-4-oxidanyl-naphthalene-1-diazonium bromide Openeye Name: 3-[[3,5-bis(methoxycarbonyl)phenyl]carbamoyl]-4-hydroxy-naphthalene-1-diazonium bromide CAS Name: 3-[[3,5-bis(methoxycarbonyl)anilino]-oxomethyl]-4-hydroxy-1-naphthalenediazonium bromide IUPAC Name: 3-[[3,5-bis(methoxycarbonyl)phenyl]carbamoyl]-4-hydroxynaphthalene-1-diazonium bromide Traditional Name: 3-[(3,5-dicarbomethoxyphenyl)carbamoyl]-4-hydroxy-naphthalene-1-diazonium bromide Formula: C21H16BrN3O6 MolecularWeight: 486.27224

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=C(C3=CC=CC=C3C(=C2)[N+]#N)O)C(=O)OC.[Br-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=C(C3=CC=CC=C3C(=C2)[N+]#N)O)C(=O)OC.[Br-]

InChI

InChI=1S/C21H15N3O6.BrH/c1-29-20(27)11-7-12(21(28)30-2)9-13(8-11)23-19(26)16-10-17(24-22)14-5-3-4-6-15(14)18(16)25;/h3-10H,1-2H3,(H-,23,25,26);1H