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

Systemtic Name: (4-ethoxy-3-methoxy-phenyl)methyl-methyl-[(2R)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: (4-ethoxy-3-methoxy-phenyl)methyl-methyl-[(1R)-1-methyl-2-(2-nitroanilino)-2-oxo-ethyl]ammonium CAS Name: (4-ethoxy-3-methoxyphenyl)methyl-methyl-[(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl]ammonium IUPAC Name: (4-ethoxy-3-methoxyphenyl)methyl-methyl-[(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl]azanium Traditional Name: (4-ethoxy-3-methoxy-benzyl)-[(1R)-2-keto-1-methyl-2-(2-nitroanilino)ethyl]-methyl-ammonium Formula: C20H26N3O5+ MolecularWeight: 388.43754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O5/c1-5-28-18-11-10-15(12-19(18)27-4)13-22(3)14(2)20(24)21-16-8-6-7-9-17(16)23(25)26/h6-12,14H,5,13H2,1-4H3,(H,21,24)/p+1/t14-/m1/s1