1,3-benzodioxol-5-ylmethyl-[2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[2-(2-chloro-4-nitro-anilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[2-(2-chloro-4-nitroanilino)-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[2-(2-chloro-4-nitroanilino)-2-oxoethyl]-methylazanium Traditional Name: [2-(2-chloro-4-nitro-anilino)-2-keto-ethyl]-methyl-piperonyl-ammonium Formula: C17H17ClN3O5+ MolecularWeight: 378.78698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClN3O5/c1-20(8-11-2-5-15-16(6-11)26-10-25-15)9-17(22)19-14-4-3-12(21(23)24)7-13(14)18/h2-7H,8-10H2,1H3,(H,19,22)/p+1