[1-[(4-methylphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 6-nitro-1,3-benzodioxole-5-carboxylate

Systemtic Name: [1-[(4-methylphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 6-nitro-1,3-benzodioxole-5-carboxylate Openeye Name: [1-methyl-2-oxo-2-(p-tolylmethylamino)ethyl] 6-nitro-1,3-benzodioxole-5-carboxylate CAS Name: 6-nitro-1,3-benzodioxole-5-carboxylic acid [1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 6-nitro-1,3-benzodioxole-5-carboxylate Traditional Name: 6-nitro-piperonylic acid [2-keto-1-methyl-2-[(4-methylbenzyl)amino]ethyl] ester Formula: C19H18N2O7 MolecularWeight: 386.35542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O7/c1-11-3-5-13(6-4-11)9-20-18(22)12(2)28-19(23)14-7-16-17(27-10-26-16)8-15(14)21(24)25/h3-8,12H,9-10H2,1-2H3,(H,20,22)