(4-aminocarbonyl-2-nitro-phenyl)methyl 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 5-ethoxy-3-methyl-benzofuran-2-carboxylate CAS Name: 5-ethoxy-3-methyl-2-benzofurancarboxylic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-ethoxy-3-methyl-coumarilic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C20H18N2O7 MolecularWeight: 398.36612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)OC(=C2C)C(=O)OCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC2=C(C=C1)OC(=C2C)C(=O)OCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C20H18N2O7/c1-3-27-14-6-7-17-15(9-14)11(2)18(29-17)20(24)28-10-13-5-4-12(19(21)23)8-16(13)22(25)26/h4-9H,3,10H2,1-2H3,(H2,21,23)