1,3-benzodioxol-5-ylmethyl-[2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[2-(2-methoxy-5-nitro-anilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[2-(2-methoxy-5-nitroanilino)-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[2-(2-methoxy-5-nitroanilino)-2-oxoethyl]-methylazanium Traditional Name: [2-keto-2-(2-methoxy-5-nitro-anilino)ethyl]-methyl-piperonyl-ammonium Formula: C18H20N3O6+ MolecularWeight: 374.3679

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C18H19N3O6/c1-20(9-12-3-5-16-17(7-12)27-11-26-16)10-18(22)19-14-8-13(21(23)24)4-6-15(14)25-2/h3-8H,9-11H2,1-2H3,(H,19,22)/p+1