N-[(R)-(3-nitrophenyl)-(8-oxidanylquinolin-7-yl)methyl]pentanamide

Systemtic Name: N-[(R)-(3-nitrophenyl)-(8-oxidanylquinolin-7-yl)methyl]pentanamide Openeye Name: N-[(R)-(8-hydroxy-7-quinolyl)-(3-nitrophenyl)methyl]pentanamide CAS Name: N-[(R)-(8-hydroxy-7-quinolinyl)-(3-nitrophenyl)methyl]pentanamide IUPAC Name: N-[(R)-(8-hydroxyquinolin-7-yl)-(3-nitrophenyl)methyl]pentanamide Traditional Name: N-[(R)-(8-hydroxy-7-quinolyl)-(3-nitrophenyl)methyl]valeramide Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(C1=CC(=CC=C1)[N+](=O)[O-])C2=C(C3=C(C=CC=N3)C=C2)O

Isomeric SMILES

CCCCC(=O)N[C@H](C1=CC(=CC=C1)[N+](=O)[O-])C2=C(C3=C(C=CC=N3)C=C2)O

InChI

InChI=1S/C21H21N3O4/c1-2-3-9-18(25)23-19(15-6-4-8-16(13-15)24(27)28)17-11-10-14-7-5-12-22-20(14)21(17)26/h4-8,10-13,19,26H,2-3,9H2,1H3,(H,23,25)/t19-/m1/s1