[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]azanium

Systemtic Name: [2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]azanium Openeye Name: [2-(2-ethylanilino)-2-oxo-ethyl]-methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ammonium CAS Name: [2-(2-ethylanilino)-2-oxoethyl]-methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ammonium IUPAC Name: [2-(2-ethylanilino)-2-oxoethyl]-methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]azanium Traditional Name: [2-(2-ethylanilino)-2-keto-ethyl]-methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ammonium Formula: C20H24N3O5+ MolecularWeight: 386.42166

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+](C)CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+](C)CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

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