[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 6-nitro-1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 6-nitro-1,3-benzodioxole-5-carboxylate Openeye Name: [2-(3,5-dimethylanilino)-2-oxo-ethyl] 6-nitro-1,3-benzodioxole-5-carboxylate CAS Name: 6-nitro-1,3-benzodioxole-5-carboxylic acid [2-(3,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylanilino)-2-oxoethyl] 6-nitro-1,3-benzodioxole-5-carboxylate Traditional Name: 6-nitro-piperonylic acid [2-(3,5-dimethylanilino)-2-keto-ethyl] ester Formula: C18H16N2O7 MolecularWeight: 372.32884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)COC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)COC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C

InChI

InChI=1S/C18H16N2O7/c1-10-3-11(2)5-12(4-10)19-17(21)8-25-18(22)13-6-15-16(27-9-26-15)7-14(13)20(23)24/h3-7H,8-9H2,1-2H3,(H,19,21)