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

Systemtic Name: 2-(4-chloranylphenoxy)ethyl-[2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 2-(4-chlorophenoxy)ethyl-[2-(2-methoxy-4-nitro-anilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: 2-(4-chlorophenoxy)ethyl-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]-methylammonium IUPAC Name: 2-(4-chlorophenoxy)ethyl-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]-methylazanium Traditional Name: 2-(4-chlorophenoxy)ethyl-[2-keto-2-(2-methoxy-4-nitro-anilino)ethyl]-methyl-ammonium Formula: C18H21ClN3O5+ MolecularWeight: 394.82944

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCOC1=CC=C(C=C1)Cl)CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])OC

Isomeric SMILES

C[NH+](CCOC1=CC=C(C=C1)Cl)CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C18H20ClN3O5/c1-21(9-10-27-15-6-3-13(19)4-7-15)12-18(23)20-16-8-5-14(22(24)25)11-17(16)26-2/h3-8,11H,9-10,12H2,1-2H3,(H,20,23)/p+1