[2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-[(4-ethoxy-3-methoxy-phenyl)methyl]-methyl-azanium

Systemtic Name: [2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-[(4-ethoxy-3-methoxy-phenyl)methyl]-methyl-azanium Openeye Name: [2-(4,5-dimethyl-2-nitro-anilino)-2-oxo-ethyl]-[(4-ethoxy-3-methoxy-phenyl)methyl]-methyl-ammonium CAS Name: [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl]-[(4-ethoxy-3-methoxyphenyl)methyl]-methylammonium IUPAC Name: [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl]-[(4-ethoxy-3-methoxyphenyl)methyl]-methylazanium Traditional Name: [2-(4,5-dimethyl-2-nitro-anilino)-2-keto-ethyl]-(4-ethoxy-3-methoxy-benzyl)-methyl-ammonium Formula: C21H28N3O5+ MolecularWeight: 402.46412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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