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

Systemtic Name: (5-methyl-2-nitro-phenyl) 3-methyl-1-benzofuran-2-carboxylate Openeye Name: (5-methyl-2-nitro-phenyl) 3-methylbenzofuran-2-carboxylate CAS Name: 3-methyl-2-benzofurancarboxylic acid (5-methyl-2-nitrophenyl) ester IUPAC Name: (5-methyl-2-nitrophenyl) 3-methyl-1-benzofuran-2-carboxylate Traditional Name: 3-methylcoumarilic acid (5-methyl-2-nitro-phenyl) ester Formula: C17H13NO5 MolecularWeight: 311.28882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[N+](=O)[O-])OC(=O)C2=C(C3=CC=CC=C3O2)C

Isomeric SMILES

CC1=CC(=C(C=C1)[N+](=O)[O-])OC(=O)C2=C(C3=CC=CC=C3O2)C

InChI

InChI=1S/C17H13NO5/c1-10-7-8-13(18(20)21)15(9-10)23-17(19)16-11(2)12-5-3-4-6-14(12)22-16/h3-9H,1-2H3