(4-ethoxy-3-methoxy-phenyl)methyl-[(2R)-1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium

Systemtic Name: (4-ethoxy-3-methoxy-phenyl)methyl-[(2R)-1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: (4-ethoxy-3-methoxy-phenyl)methyl-[(1R)-2-(2-methoxy-5-nitro-anilino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: (4-ethoxy-3-methoxyphenyl)methyl-[(2R)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl]-methylammonium IUPAC Name: (4-ethoxy-3-methoxyphenyl)methyl-[(2R)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl]-methylazanium Traditional Name: (4-ethoxy-3-methoxy-benzyl)-[(1R)-2-keto-2-(2-methoxy-5-nitro-anilino)-1-methyl-ethyl]-methyl-ammonium Formula: C21H28N3O6+ MolecularWeight: 418.46352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O6/c1-6-30-19-9-7-15(11-20(19)29-5)13-23(3)14(2)21(25)22-17-12-16(24(26)27)8-10-18(17)28-4/h7-12,14H,6,13H2,1-5H3,(H,22,25)/p+1/t14-/m1/s1