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

Systemtic Name: (3-nitrophenyl)methyl 3-methyl-1-benzofuran-2-carboxylate Openeye Name: (3-nitrophenyl)methyl 3-methylbenzofuran-2-carboxylate CAS Name: 3-methyl-2-benzofurancarboxylic acid (3-nitrophenyl)methyl ester IUPAC Name: (3-nitrophenyl)methyl 3-methyl-1-benzofuran-2-carboxylate Traditional Name: 3-methylcoumarilic acid (3-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(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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