[2-(2-nitroprop-1-enyl)phenyl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-(2-nitroprop-1-enyl)phenyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [2-(2-nitroprop-1-enyl)phenyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [2-(2-nitroprop-1-enyl)phenyl] ester IUPAC Name: [2-(2-nitroprop-1-enyl)phenyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-(2-nitroprop-1-enyl)phenyl] ester Formula: C17H13NO6 MolecularWeight: 327.28822

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=CC=C1OC(=O)C2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

CC(=CC1=CC=CC=C1OC(=O)C2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C17H13NO6/c1-11(18(20)21)8-12-4-2-3-5-14(12)24-17(19)13-6-7-15-16(9-13)23-10-22-15/h2-9H,10H2,1H3