[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-[(3-methoxyphenyl)methyl]-methyl-azanium

Systemtic Name: [2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-[(3-methoxyphenyl)methyl]-methyl-azanium Openeye Name: [2-(2-bromo-4-nitro-anilino)-2-oxo-ethyl]-[(3-methoxyphenyl)methyl]-methyl-ammonium CAS Name: [2-(2-bromo-4-nitroanilino)-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylammonium IUPAC Name: [2-(2-bromo-4-nitroanilino)-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium Traditional Name: [2-(2-bromo-4-nitro-anilino)-2-keto-ethyl]-m-anisyl-methyl-ammonium Formula: C17H19BrN3O4+ MolecularWeight: 409.25446

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC(=CC=C1)OC)CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br

Isomeric SMILES

C[NH+](CC1=CC(=CC=C1)OC)CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br

InChI

InChI=1S/C17H18BrN3O4/c1-20(10-12-4-3-5-14(8-12)25-2)11-17(22)19-16-7-6-13(21(23)24)9-15(16)18/h3-9H,10-11H2,1-2H3,(H,19,22)/p+1