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

Systemtic Name: (2-methoxy-5-nitro-phenyl) 3-methyl-1-benzofuran-2-carboxylate Openeye Name: (2-methoxy-5-nitro-phenyl) 3-methylbenzofuran-2-carboxylate CAS Name: 3-methyl-2-benzofurancarboxylic acid (2-methoxy-5-nitrophenyl) ester IUPAC Name: (2-methoxy-5-nitrophenyl) 3-methyl-1-benzofuran-2-carboxylate Traditional Name: 3-methylcoumarilic acid (2-methoxy-5-nitro-phenyl) ester Formula: C17H13NO6 MolecularWeight: 327.28822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)OC3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)OC3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C17H13NO6/c1-10-12-5-3-4-6-13(12)23-16(10)17(19)24-15-9-11(18(20)21)7-8-14(15)22-2/h3-9H,1-2H3