[(1R)-2-[(4-ethoxy-5-methoxy-2-nitro-phenyl)carbonylamino]-1-(2-methoxyphenyl)ethyl]-dimethyl-azanium

Systemtic Name: [(1R)-2-[(4-ethoxy-5-methoxy-2-nitro-phenyl)carbonylamino]-1-(2-methoxyphenyl)ethyl]-dimethyl-azanium Openeye Name: [(1R)-2-[(4-ethoxy-5-methoxy-2-nitro-benzoyl)amino]-1-(2-methoxyphenyl)ethyl]-dimethyl-ammonium CAS Name: [(1R)-2-[[(4-ethoxy-5-methoxy-2-nitrophenyl)-oxomethyl]amino]-1-(2-methoxyphenyl)ethyl]-dimethylammonium IUPAC Name: [(1R)-2-[(4-ethoxy-5-methoxy-2-nitrobenzoyl)amino]-1-(2-methoxyphenyl)ethyl]-dimethylazanium Traditional Name: [(1R)-2-[(4-ethoxy-5-methoxy-2-nitro-benzoyl)amino]-1-(2-methoxyphenyl)ethyl]-dimethyl-ammonium Formula: C21H28N3O6+ MolecularWeight: 418.46352

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)NCC(C2=CC=CC=C2OC)[NH+](C)C)OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)NC[C@@H](C2=CC=CC=C2OC)[NH+](C)C)OC

InChI

InChI=1S/C21H27N3O6/c1-6-30-20-12-16(24(26)27)15(11-19(20)29-5)21(25)22-13-17(23(2)3)14-9-7-8-10-18(14)28-4/h7-12,17H,6,13H2,1-5H3,(H,22,25)/p+1/t17-/m0/s1