[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 5-methoxy-3-methyl-benzofuran-2-carboxylate CAS Name: 5-methoxy-3-methyl-2-benzofurancarboxylic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-methoxy-3-methyl-coumarilic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C20H17NO7 MolecularWeight: 383.35148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=C(C3=C(O2)C=CC(=C3)OC)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=C(C3=C(O2)C=CC(=C3)OC)C)[N+](=O)[O-]

InChI

InChI=1S/C20H17NO7/c1-11-4-5-13(8-16(11)21(24)25)17(22)10-27-20(23)19-12(2)15-9-14(26-3)6-7-18(15)28-19/h4-9H,10H2,1-3H3