2-(4-chloranylphenoxy)ethyl-methyl-[2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 2-(4-chloranylphenoxy)ethyl-methyl-[2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 2-(4-chlorophenoxy)ethyl-methyl-[2-(2-methyl-6-nitro-anilino)-2-oxo-ethyl]ammonium CAS Name: 2-(4-chlorophenoxy)ethyl-methyl-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]ammonium IUPAC Name: 2-(4-chlorophenoxy)ethyl-methyl-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]azanium Traditional Name: 2-(4-chlorophenoxy)ethyl-[2-keto-2-(2-methyl-6-nitro-anilino)ethyl]-methyl-ammonium Formula: C18H21ClN3O4+ MolecularWeight: 378.83004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)C[NH+](C)CCOC2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)C[NH+](C)CCOC2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H20ClN3O4/c1-13-4-3-5-16(22(24)25)18(13)20-17(23)12-21(2)10-11-26-15-8-6-14(19)7-9-15/h3-9H,10-12H2,1-2H3,(H,20,23)/p+1