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

Systemtic Name: [2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]azanium Openeye Name: [2-(3-methoxyanilino)-2-oxo-ethyl]-methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ammonium CAS Name: [2-(3-methoxyanilino)-2-oxoethyl]-methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ammonium IUPAC Name: [2-(3-methoxyanilino)-2-oxoethyl]-methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]azanium Traditional Name: [2-keto-2-(m-anisidino)ethyl]-methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ammonium Formula: C19H22N3O6+ MolecularWeight: 388.39448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O6/c1-21(10-18(23)20-15-4-3-5-17(8-15)26-2)9-13-6-16(22(24)25)7-14-11-27-12-28-19(13)14/h3-8H,9-12H2,1-2H3,(H,20,23)/p+1