[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl] 6-nitro-1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl] 6-nitro-1,3-benzodioxole-5-carboxylate Openeye Name: [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 6-nitro-1,3-benzodioxole-5-carboxylate CAS Name: 6-nitro-1,3-benzodioxole-5-carboxylic acid [2-oxo-2-(2,4,6-trimethylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 6-nitro-1,3-benzodioxole-5-carboxylate Traditional Name: 6-nitro-piperonylic acid (2-keto-2-mesidino-ethyl) ester Formula: C19H18N2O7 MolecularWeight: 386.35542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O7/c1-10-4-11(2)18(12(3)5-10)20-17(22)8-26-19(23)13-6-15-16(28-9-27-15)7-14(13)21(24)25/h4-7H,8-9H2,1-3H3,(H,20,22)