ethyl 2-methyl-5-[3-(3-nitrophenyl)prop-2-enoyloxy]-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 2-methyl-5-[3-(3-nitrophenyl)prop-2-enoyloxy]-1-benzofuran-3-carboxylate Openeye Name: ethyl 2-methyl-5-[3-(3-nitrophenyl)prop-2-enoyloxy]benzofuran-3-carboxylate CAS Name: 2-methyl-5-[3-(3-nitrophenyl)-1-oxoprop-2-enoxy]-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-5-[3-(3-nitrophenyl)prop-2-enoyloxy]-1-benzofuran-3-carboxylate Traditional Name: 2-methyl-5-[3-(3-nitrophenyl)acryloyl]oxy-benzofuran-3-carboxylic acid ethyl ester Formula: C21H17NO7 MolecularWeight: 395.36218

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C21H17NO7/c1-3-27-21(24)20-13(2)28-18-9-8-16(12-17(18)20)29-19(23)10-7-14-5-4-6-15(11-14)22(25)26/h4-12H,3H2,1-2H3