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

Systemtic Name: 2-(4-chloranylphenoxy)ethyl-[(2R)-1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: 2-(4-chlorophenoxy)ethyl-[(1R)-2-(2-methoxy-5-nitro-anilino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: 2-(4-chlorophenoxy)ethyl-[(2R)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl]-methylammonium IUPAC Name: 2-(4-chlorophenoxy)ethyl-[(2R)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl]-methylazanium Traditional Name: 2-(4-chlorophenoxy)ethyl-[(1R)-2-keto-2-(2-methoxy-5-nitro-anilino)-1-methyl-ethyl]-methyl-ammonium Formula: C19H23ClN3O5+ MolecularWeight: 408.85602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)[NH+](C)CCOC2=CC=C(C=C2)Cl

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)[NH+](C)CCOC2=CC=C(C=C2)Cl

InChI

InChI=1S/C19H22ClN3O5/c1-13(22(2)10-11-28-16-7-4-14(20)5-8-16)19(24)21-17-12-15(23(25)26)6-9-18(17)27-3/h4-9,12-13H,10-11H2,1-3H3,(H,21,24)/p+1/t13-/m1/s1