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

Systemtic Name: (3-methyl-4-nitro-phenyl) 1-benzofuran-2-carboxylate Openeye Name: (3-methyl-4-nitro-phenyl) benzofuran-2-carboxylate CAS Name: 2-benzofurancarboxylic acid (3-methyl-4-nitrophenyl) ester IUPAC Name: (3-methyl-4-nitrophenyl) 1-benzofuran-2-carboxylate Traditional Name: coumarilic acid (3-methyl-4-nitro-phenyl) ester Formula: C16H11NO5 MolecularWeight: 297.26224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC(=O)C2=CC3=CC=CC=C3O2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)OC(=O)C2=CC3=CC=CC=C3O2)[N+](=O)[O-]

InChI

InChI=1S/C16H11NO5/c1-10-8-12(6-7-13(10)17(19)20)21-16(18)15-9-11-4-2-3-5-14(11)22-15/h2-9H,1H3