(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 5-bromo-3-methyl-benzofuran-2-carboxylate CAS Name: 5-bromo-3-methyl-2-benzofurancarboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 5-bromo-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-methyl-coumarilic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C19H14BrNO7 MolecularWeight: 448.22096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C19H14BrNO7/c1-10-15-6-13(20)2-3-16(15)28-17(10)19(22)26-8-12-5-14(21(23)24)4-11-7-25-9-27-18(11)12/h2-6H,7-9H2,1H3