2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[2-[(2,3-dimethyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[2-[(2,3-dimethyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[2-(2,3-dimethyl-6-nitro-anilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl]-methylammonium IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl]-methylazanium Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[2-(2,3-dimethyl-6-nitro-anilino)-2-keto-ethyl]-methyl-ammonium Formula: C20H24N3O5+ MolecularWeight: 386.42166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)C[NH+](C)CC2=CC3=C(C=C2)OCCO3)C

Isomeric SMILES

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)C[NH+](C)CC2=CC3=C(C=C2)OCCO3)C

InChI

InChI=1S/C20H23N3O5/c1-13-4-6-16(23(25)26)20(14(13)2)21-19(24)12-22(3)11-15-5-7-17-18(10-15)28-9-8-27-17/h4-7,10H,8-9,11-12H2,1-3H3,(H,21,24)/p+1