2-(4-chloranylphenoxy)ethyl-[2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 2-(4-chloranylphenoxy)ethyl-[2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 2-(4-chlorophenoxy)ethyl-[2-(4,5-dimethyl-2-nitro-anilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: 2-(4-chlorophenoxy)ethyl-[2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl]-methylammonium IUPAC Name: 2-(4-chlorophenoxy)ethyl-[2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl]-methylazanium Traditional Name: 2-(4-chlorophenoxy)ethyl-[2-(4,5-dimethyl-2-nitro-anilino)-2-keto-ethyl]-methyl-ammonium Formula: C19H23ClN3O4+ MolecularWeight: 392.85662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)C[NH+](C)CCOC2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)C[NH+](C)CCOC2=CC=C(C=C2)Cl

InChI

InChI=1S/C19H22ClN3O4/c1-13-10-17(18(23(25)26)11-14(13)2)21-19(24)12-22(3)8-9-27-16-6-4-15(20)5-7-16/h4-7,10-11H,8-9,12H2,1-3H3,(H,21,24)/p+1