(4-pyrrolidin-1-ylcarbonylphenyl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate

Systemtic Name: (4-pyrrolidin-1-ylcarbonylphenyl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate Openeye Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 6-nitro-1,3-benzodioxole-5-carboxylate CAS Name: 6-nitro-1,3-benzodioxole-5-carboxylic acid [4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl ester IUPAC Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 6-nitro-1,3-benzodioxole-5-carboxylate Traditional Name: 6-nitro-piperonylic acid [4-(pyrrolidine-1-carbonyl)benzyl] ester Formula: C20H18N2O7 MolecularWeight: 398.36612

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=C(C=C2)COC(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCO4

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(C=C2)COC(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCO4

InChI

InChI=1S/C20H18N2O7/c23-19(21-7-1-2-8-21)14-5-3-13(4-6-14)11-27-20(24)15-9-17-18(29-12-28-17)10-16(15)22(25)26/h3-6,9-10H,1-2,7-8,11-12H2