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

Systemtic Name: (4-ethoxy-3-methoxy-phenyl)methyl-ethyl-[2-[methyl-(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: (4-ethoxy-3-methoxy-phenyl)methyl-ethyl-[2-(N-methyl-4-nitro-anilino)-2-oxo-ethyl]ammonium CAS Name: (4-ethoxy-3-methoxyphenyl)methyl-ethyl-[2-(N-methyl-4-nitroanilino)-2-oxoethyl]ammonium IUPAC Name: (4-ethoxy-3-methoxyphenyl)methyl-ethyl-[2-(N-methyl-4-nitroanilino)-2-oxoethyl]azanium Traditional Name: (4-ethoxy-3-methoxy-benzyl)-ethyl-[2-keto-2-(N-methyl-4-nitro-anilino)ethyl]ammonium Formula: C21H28N3O5+ MolecularWeight: 402.46412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O5/c1-5-23(14-16-7-12-19(29-6-2)20(13-16)28-4)15-21(25)22(3)17-8-10-18(11-9-17)24(26)27/h7-13H,5-6,14-15H2,1-4H3/p+1