[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenyl] 3-nitrobenzoate

Systemtic Name: [4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenyl] 3-nitrobenzoate Openeye Name: [4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[(E)-1-oxo-3-(3,4,5-trimethoxyphenyl)prop-2-enyl]phenyl] ester IUPAC Name: [4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-[(E)-3-(3,4,5-trimethoxyphenyl)acryloyl]phenyl] ester Formula: C25H21NO8 MolecularWeight: 463.43614

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C=CC(=O)C2=CC=C(C=C2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)C2=CC=C(C=C2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H21NO8/c1-31-22-13-16(14-23(32-2)24(22)33-3)7-12-21(27)17-8-10-20(11-9-17)34-25(28)18-5-4-6-19(15-18)26(29)30/h4-15H,1-3H3/b12-7+