[4-[(E)-3-(3-nitrophenyl)prop-2-enoyl]phenyl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [4-[(E)-3-(3-nitrophenyl)prop-2-enoyl]phenyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [4-[(E)-3-(3-nitrophenyl)prop-2-enoyl]phenyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [4-[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]phenyl] ester IUPAC Name: [4-[(E)-3-(3-nitrophenyl)prop-2-enoyl]phenyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [4-[(E)-3-(3-nitrophenyl)acryloyl]phenyl] ester Formula: C23H15NO7 MolecularWeight: 417.3677

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=O)C=CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=O)/C=C/C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H15NO7/c25-20(10-4-15-2-1-3-18(12-15)24(27)28)16-5-8-19(9-6-16)31-23(26)17-7-11-21-22(13-17)30-14-29-21/h1-13H,14H2/b10-4+