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

Systemtic Name: ethyl-[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]azanium Openeye Name: ethyl-[2-(3-methoxyanilino)-2-oxo-ethyl]-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ammonium CAS Name: ethyl-[2-(3-methoxyanilino)-2-oxoethyl]-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ammonium IUPAC Name: ethyl-[2-(3-methoxyanilino)-2-oxoethyl]-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]azanium Traditional Name: ethyl-[2-keto-2-(m-anisidino)ethyl]-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ammonium Formula: C20H24N3O6+ MolecularWeight: 402.42106

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2)CC(=O)NC3=CC(=CC=C3)OC

Isomeric SMILES

CC[NH+](CC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2)CC(=O)NC3=CC(=CC=C3)OC

InChI

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