N-(4-bromanyl-2-methyl-phenyl)-5-nitro-1-benzofuran-3-carboxamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-5-nitro-1-benzofuran-3-carboxamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-5-nitro-benzofuran-3-carboxamide CAS Name: N-(4-bromo-2-methylphenyl)-5-nitro-3-benzofurancarboxamide IUPAC Name: N-(4-bromo-2-methylphenyl)-5-nitro-1-benzofuran-3-carboxamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-5-nitro-benzofuran-3-carboxamide Formula: C16H11BrN2O4 MolecularWeight: 375.17354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)C2=COC3=C2C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)C2=COC3=C2C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H11BrN2O4/c1-9-6-10(17)2-4-14(9)18-16(20)13-8-23-15-5-3-11(19(21)22)7-12(13)15/h2-8H,1H3,(H,18,20)