disodium 5-bromanyl-2-[[(2-methoxyphenyl)amino]-(2-oxidanidyl-2-oxidanylidene-ethyl)imino-azaniumyl]benzoate

Systemtic Name: disodium 5-bromanyl-2-[[(2-methoxyphenyl)amino]-(2-oxidanidyl-2-oxidanylidene-ethyl)imino-azaniumyl]benzoate Openeye Name: disodium 5-bromo-2-[(2-methoxyanilino)-(2-oxido-2-oxo-ethyl)imino-ammonio]benzoate CAS Name: disodium 5-bromo-2-[(2-methoxyanilino)-(2-oxido-2-oxoethyl)iminoammonio]benzoate IUPAC Name: disodium 5-bromo-2-[(2-methoxyanilino)-(2-oxido-2-oxoethyl)iminoazaniumyl]benzoate Traditional Name: disodium 5-bromo-2-[(2-keto-2-oxido-ethyl)imino-(o-anisidino)ammonio]benzoate Formula: C16H13BrN3Na2O5+ MolecularWeight: 453.17506

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N[N+](=NCC(=O)[O-])C2=C(C=C(C=C2)Br)C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

COC1=CC=CC=C1N[N+](=NCC(=O)[O-])C2=C(C=C(C=C2)Br)C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C16H14BrN3O5.2Na/c1-25-14-5-3-2-4-12(14)19-20(18-9-15(21)22)13-7-6-10(17)8-11(13)16(23)24;;/h2-8H,9H2,1H3,(H2-,18,19,21,22,23,24);;/q;2*+1/p-1