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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-(3-nitroanilino)-2-oxo-ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-(3-nitroanilino)-2-oxoethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-(3-nitroanilino)-2-oxoethyl]azanium Traditional Name: [2-keto-2-(3-nitroanilino)ethyl]-methyl-piperonyl-ammonium Formula: C17H18N3O5+ MolecularWeight: 344.34192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O5/c1-19(9-12-5-6-15-16(7-12)25-11-24-15)10-17(21)18-13-3-2-4-14(8-13)20(22)23/h2-8H,9-11H2,1H3,(H,18,21)/p+1