[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-diethyl-azanium

Systemtic Name: [2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-diethyl-azanium Openeye Name: [2-(2-bromo-4-nitro-anilino)-2-oxo-ethyl]-diethyl-ammonium CAS Name: [2-(2-bromo-4-nitroanilino)-2-oxoethyl]-diethylammonium IUPAC Name: [2-(2-bromo-4-nitroanilino)-2-oxoethyl]-diethylazanium Traditional Name: [2-(2-bromo-4-nitro-anilino)-2-keto-ethyl]-diethyl-ammonium Formula: C12H17BrN3O3+ MolecularWeight: 331.18568

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Br

Isomeric SMILES

CC[NH+](CC)CC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Br

InChI

InChI=1S/C12H16BrN3O3/c1-3-15(4-2)8-12(17)14-11-6-5-9(16(18)19)7-10(11)13/h5-7H,3-4,8H2,1-2H3,(H,14,17)/p+1