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

Systemtic Name: [2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]azanium Openeye Name: [2-(2-bromoanilino)-2-oxo-ethyl]-methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ammonium CAS Name: [2-(2-bromoanilino)-2-oxoethyl]-methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ammonium IUPAC Name: [2-(2-bromoanilino)-2-oxoethyl]-methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]azanium Traditional Name: [2-(2-bromoanilino)-2-keto-ethyl]-methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ammonium Formula: C18H19BrN3O5+ MolecularWeight: 437.26456

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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=C3Br

Isomeric SMILES

C[NH+](CC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2)CC(=O)NC3=CC=CC=C3Br

InChI

InChI=1S/C18H18BrN3O5/c1-21(9-17(23)20-16-5-3-2-4-15(16)19)8-12-6-14(22(24)25)7-13-10-26-11-27-18(12)13/h2-7H,8-11H2,1H3,(H,20,23)/p+1