[2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-methyl-phenyl] 4-nitrobenzoate

Systemtic Name: [2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-methyl-phenyl] 4-nitrobenzoate Openeye Name: [2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-methyl-phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-[(E)-3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]-4-methylphenyl] ester IUPAC Name: [2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-methylphenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-[(E)-3-(3,4-dimethoxyphenyl)acryloyl]-4-methyl-phenyl] ester Formula: C25H21NO7 MolecularWeight: 447.43674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C=CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)/C=C/C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C25H21NO7/c1-16-4-12-22(33-25(28)18-7-9-19(10-8-18)26(29)30)20(14-16)21(27)11-5-17-6-13-23(31-2)24(15-17)32-3/h4-15H,1-3H3/b11-5+