(4-nitrophenyl)methyl 3-methyl-5-(3-oxidanylidenebutyl)-1-benzofuran-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 3-methyl-5-(3-oxidanylidenebutyl)-1-benzofuran-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 3-methyl-5-(3-oxobutyl)benzofuran-2-carboxylate CAS Name: 3-methyl-5-(3-oxobutyl)-2-benzofurancarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-methyl-5-(3-oxobutyl)-1-benzofuran-2-carboxylate Traditional Name: 5-(3-ketobutyl)-3-methyl-coumarilic acid (4-nitrobenzyl) ester Formula: C21H19NO6 MolecularWeight: 381.37866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)CCC(=O)C)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)CCC(=O)C)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H19NO6/c1-13(23)3-4-15-7-10-19-18(11-15)14(2)20(28-19)21(24)27-12-16-5-8-17(9-6-16)22(25)26/h5-11H,3-4,12H2,1-2H3