3-(3,3-dimethylbutanoylamino)-N-(4-nitrophenyl)-1-benzofuran-2-carboxamide

Systemtic Name: 3-(3,3-dimethylbutanoylamino)-N-(4-nitrophenyl)-1-benzofuran-2-carboxamide Openeye Name: 3-(3,3-dimethylbutanoylamino)-N-(4-nitrophenyl)benzofuran-2-carboxamide CAS Name: 3-[(3,3-dimethyl-1-oxobutyl)amino]-N-(4-nitrophenyl)-2-benzofurancarboxamide IUPAC Name: 3-(3,3-dimethylbutanoylamino)-N-(4-nitrophenyl)-1-benzofuran-2-carboxamide Traditional Name: 3-(3,3-dimethylbutanoylamino)-N-(4-nitrophenyl)coumarilamide Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)NC1=C(OC2=CC=CC=C21)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)CC(=O)NC1=C(OC2=CC=CC=C21)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O5/c1-21(2,3)12-17(25)23-18-15-6-4-5-7-16(15)29-19(18)20(26)22-13-8-10-14(11-9-13)24(27)28/h4-11H,12H2,1-3H3,(H,22,26)(H,23,25)