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

Systemtic Name: (4-ethoxy-3-methoxy-phenyl)methyl-ethyl-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: (4-ethoxy-3-methoxy-phenyl)methyl-ethyl-[2-(4-nitroanilino)-2-oxo-ethyl]ammonium CAS Name: (4-ethoxy-3-methoxyphenyl)methyl-ethyl-[2-(4-nitroanilino)-2-oxoethyl]ammonium IUPAC Name: (4-ethoxy-3-methoxyphenyl)methyl-ethyl-[2-(4-nitroanilino)-2-oxoethyl]azanium Traditional Name: (4-ethoxy-3-methoxy-benzyl)-ethyl-[2-keto-2-(4-nitroanilino)ethyl]ammonium Formula: C20H26N3O5+ MolecularWeight: 388.43754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O5/c1-4-22(13-15-6-11-18(28-5-2)19(12-15)27-3)14-20(24)21-16-7-9-17(10-8-16)23(25)26/h6-12H,4-5,13-14H2,1-3H3,(H,21,24)/p+1