(5-bromanyl-2-methoxy-phenyl)methyl-[2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)methyl-[2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (5-bromo-2-methoxy-phenyl)methyl-[2-(2-methoxy-5-nitro-anilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: (5-bromo-2-methoxyphenyl)methyl-[2-(2-methoxy-5-nitroanilino)-2-oxoethyl]-methylammonium IUPAC Name: (5-bromo-2-methoxyphenyl)methyl-[2-(2-methoxy-5-nitroanilino)-2-oxoethyl]-methylazanium Traditional Name: (5-bromo-2-methoxy-benzyl)-[2-keto-2-(2-methoxy-5-nitro-anilino)ethyl]-methyl-ammonium Formula: C18H21BrN3O5+ MolecularWeight: 439.28044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20BrN3O5/c1-21(10-12-8-13(19)4-6-16(12)26-2)11-18(23)20-15-9-14(22(24)25)5-7-17(15)27-3/h4-9H,10-11H2,1-3H3,(H,20,23)/p+1