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

Systemtic Name: N-[(5-nitro-8-oxidanyl-quinolin-7-yl)-(4-propan-2-ylphenyl)methyl]propanamide Openeye Name: N-[(8-hydroxy-5-nitro-7-quinolyl)-(4-isopropylphenyl)methyl]propanamide CAS Name: N-[(8-hydroxy-5-nitro-7-quinolinyl)-(4-propan-2-ylphenyl)methyl]propanamide IUPAC Name: N-[(8-hydroxy-5-nitroquinolin-7-yl)-(4-propan-2-ylphenyl)methyl]propanamide Traditional Name: N-[(8-hydroxy-5-nitro-7-quinolyl)-p-cumenyl-methyl]propionamide Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O4/c1-4-19(26)24-20(15-9-7-14(8-10-15)13(2)3)17-12-18(25(28)29)16-6-5-11-23-21(16)22(17)27/h5-13,20,27H,4H2,1-3H3,(H,24,26)