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

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 5-bromo-3-methyl-benzofuran-2-carboxylate CAS Name: 5-bromo-3-methyl-2-benzofurancarboxylic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 5-bromo-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-methyl-coumarilic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C18H13BrN2O6 MolecularWeight: 433.20962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13BrN2O6/c1-9-13-7-12(19)4-5-15(13)27-16(9)18(23)26-8-11-3-2-10(17(20)22)6-14(11)21(24)25/h2-7H,8H2,1H3,(H2,20,22)