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

Systemtic Name: (4-nitrophenyl)methyl 3-methyl-1-benzofuran-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 3-methylbenzofuran-2-carboxylate CAS Name: 3-methyl-2-benzofurancarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-methyl-1-benzofuran-2-carboxylate Traditional Name: 3-methylcoumarilic acid (4-nitrobenzyl) ester Formula: C17H13NO5 MolecularWeight: 311.28882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H13NO5/c1-11-14-4-2-3-5-15(14)23-16(11)17(19)22-10-12-6-8-13(9-7-12)18(20)21/h2-9H,10H2,1H3