N-(4-butan-2-ylphenyl)-5-nitro-1-benzofuran-3-carboxamide

Systemtic Name: N-(4-butan-2-ylphenyl)-5-nitro-1-benzofuran-3-carboxamide Openeye Name: 5-nitro-N-(4-sec-butylphenyl)benzofuran-3-carboxamide CAS Name: N-(4-butan-2-ylphenyl)-5-nitro-3-benzofurancarboxamide IUPAC Name: N-(4-butan-2-ylphenyl)-5-nitro-1-benzofuran-3-carboxamide Traditional Name: 5-nitro-N-(4-sec-butylphenyl)benzofuran-3-carboxamide Formula: C19H18N2O4 MolecularWeight: 338.35722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O4/c1-3-12(2)13-4-6-14(7-5-13)20-19(22)17-11-25-18-9-8-15(21(23)24)10-16(17)18/h4-12H,3H2,1-2H3,(H,20,22)