N-[(5-nitro-8-oxidanyl-quinolin-7-yl)-(4-propan-2-ylphenyl)methyl]ethanamide

Systemtic Name: N-[(5-nitro-8-oxidanyl-quinolin-7-yl)-(4-propan-2-ylphenyl)methyl]ethanamide Openeye Name: N-[(8-hydroxy-5-nitro-7-quinolyl)-(4-isopropylphenyl)methyl]acetamide CAS Name: N-[(8-hydroxy-5-nitro-7-quinolinyl)-(4-propan-2-ylphenyl)methyl]acetamide IUPAC Name: N-[(8-hydroxy-5-nitroquinolin-7-yl)-(4-propan-2-ylphenyl)methyl]acetamide Traditional Name: N-[(8-hydroxy-5-nitro-7-quinolyl)-p-cumenyl-methyl]acetamide Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(C2=CC(=C3C=CC=NC3=C2O)[N+](=O)[O-])NC(=O)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(C2=CC(=C3C=CC=NC3=C2O)[N+](=O)[O-])NC(=O)C

InChI

InChI=1S/C21H21N3O4/c1-12(2)14-6-8-15(9-7-14)19(23-13(3)25)17-11-18(24(27)28)16-5-4-10-22-20(16)21(17)26/h4-12,19,26H,1-3H3,(H,23,25)