3-methyl-4-[(4-nitrophenyl)methoxy]-1-benzofuran-2-carboxylic acid

Systemtic Name: 3-methyl-4-[(4-nitrophenyl)methoxy]-1-benzofuran-2-carboxylic acid Openeye Name: 3-methyl-4-[(4-nitrophenyl)methoxy]benzofuran-2-carboxylic acid CAS Name: 3-methyl-4-[(4-nitrophenyl)methoxy]-2-benzofurancarboxylic acid IUPAC Name: 3-methyl-4-[(4-nitrophenyl)methoxy]-1-benzofuran-2-carboxylic acid Traditional Name: 3-methyl-4-(4-nitrobenzyl)oxy-coumarilic acid Formula: C17H13NO6 MolecularWeight: 327.28822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=CC=C2)OCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(OC2=C1C(=CC=C2)OCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C17H13NO6/c1-10-15-13(3-2-4-14(15)24-16(10)17(19)20)23-9-11-5-7-12(8-6-11)18(21)22/h2-8H,9H2,1H3,(H,19,20)