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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)COC(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCO2)C3=CC=CC=C3

Isomeric SMILES

CC(CNC(=O)COC(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCO2)C3=CC=CC=C3

InChI

InChI=1S/C19H18N2O7/c1-12(13-5-3-2-4-6-13)9-20-18(22)10-26-19(23)14-7-16-17(28-11-27-16)8-15(14)21(24)25/h2-8,12H,9-11H2,1H3,(H,20,22)