[2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-[(4-ethoxy-3-methoxy-phenyl)methyl]-ethyl-azanium

Systemtic Name: [2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-[(4-ethoxy-3-methoxy-phenyl)methyl]-ethyl-azanium Openeye Name: [2-(2-chloro-4-nitro-anilino)-2-oxo-ethyl]-[(4-ethoxy-3-methoxy-phenyl)methyl]-ethyl-ammonium CAS Name: [2-(2-chloro-4-nitroanilino)-2-oxoethyl]-[(4-ethoxy-3-methoxyphenyl)methyl]-ethylammonium IUPAC Name: [2-(2-chloro-4-nitroanilino)-2-oxoethyl]-[(4-ethoxy-3-methoxyphenyl)methyl]-ethylazanium Traditional Name: [2-(2-chloro-4-nitro-anilino)-2-keto-ethyl]-(4-ethoxy-3-methoxy-benzyl)-ethyl-ammonium Formula: C20H25ClN3O5+ MolecularWeight: 422.8826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24ClN3O5/c1-4-23(12-14-6-9-18(29-5-2)19(10-14)28-3)13-20(25)22-17-8-7-15(24(26)27)11-16(17)21/h6-11H,4-5,12-13H2,1-3H3,(H,22,25)/p+1