2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(2R)-1-[(2-methoxy-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(2R)-1-[(2-methoxy-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1R)-2-(2-methoxy-4-nitro-anilino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(2R)-1-(2-methoxy-4-nitroanilino)-1-oxopropan-2-yl]-methylammonium IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(2R)-1-(2-methoxy-4-nitroanilino)-1-oxopropan-2-yl]-methylazanium Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1R)-2-keto-2-(2-methoxy-4-nitro-anilino)-1-methyl-ethyl]-methyl-ammonium Formula: C20H24N3O6+ MolecularWeight: 402.42106

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC)[NH+](C)CC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC)[NH+](C)CC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C20H23N3O6/c1-13(20(24)21-16-6-5-15(23(25)26)11-18(16)27-3)22(2)12-14-4-7-17-19(10-14)29-9-8-28-17/h4-7,10-11,13H,8-9,12H2,1-3H3,(H,21,24)/p+1/t13-/m1/s1