[4-[(E)-3-(3-nitrophenyl)prop-2-enoyl]phenyl] 5-ethoxy-2-methyl-1-benzofuran-3-carboxylate

Systemtic Name: [4-[(E)-3-(3-nitrophenyl)prop-2-enoyl]phenyl] 5-ethoxy-2-methyl-1-benzofuran-3-carboxylate Openeye Name: [4-[(E)-3-(3-nitrophenyl)prop-2-enoyl]phenyl] 5-ethoxy-2-methyl-benzofuran-3-carboxylate CAS Name: 5-ethoxy-2-methyl-3-benzofurancarboxylic acid [4-[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]phenyl] ester IUPAC Name: [4-[(E)-3-(3-nitrophenyl)prop-2-enoyl]phenyl] 5-ethoxy-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 5-ethoxy-2-methyl-benzofuran-3-carboxylic acid [4-[(E)-3-(3-nitrophenyl)acryloyl]phenyl] ester Formula: C27H21NO7 MolecularWeight: 471.45814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)OC(=C2C(=O)OC3=CC=C(C=C3)C(=O)C=CC4=CC(=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CCOC1=CC2=C(C=C1)OC(=C2C(=O)OC3=CC=C(C=C3)C(=O)/C=C/C4=CC(=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C27H21NO7/c1-3-33-22-12-14-25-23(16-22)26(17(2)34-25)27(30)35-21-10-8-19(9-11-21)24(29)13-7-18-5-4-6-20(15-18)28(31)32/h4-16H,3H2,1-2H3/b13-7+