[4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]phenyl] 4-nitrobenzoate

Systemtic Name: [4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]phenyl] 4-nitrobenzoate Openeye Name: [4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [4-[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]phenyl] ester IUPAC Name: [4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]phenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [4-[(E)-3-(1,3-benzodioxol-5-yl)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=CC(=O)C3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C23H15NO7/c25-20(11-1-15-2-12-21-22(13-15)30-14-29-21)16-5-9-19(10-6-16)31-23(26)17-3-7-18(8-4-17)24(27)28/h1-13H,14H2/b11-1+