N-[(E)-1-(5-nitro-8-oxidanyl-quinolin-7-yl)-3-phenyl-prop-2-enyl]pentanamide

Systemtic Name: N-[(E)-1-(5-nitro-8-oxidanyl-quinolin-7-yl)-3-phenyl-prop-2-enyl]pentanamide Openeye Name: N-[(E)-1-(8-hydroxy-5-nitro-7-quinolyl)-3-phenyl-allyl]pentanamide CAS Name: N-[(E)-1-(8-hydroxy-5-nitro-7-quinolinyl)-3-phenylprop-2-enyl]pentanamide IUPAC Name: N-[(E)-1-(8-hydroxy-5-nitroquinolin-7-yl)-3-phenylprop-2-enyl]pentanamide Traditional Name: N-[(E)-1-(8-hydroxy-5-nitro-7-quinolyl)-3-phenyl-allyl]valeramide Formula: C23H23N3O4 MolecularWeight: 405.44642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(C=CC1=CC=CC=C1)C2=CC(=C3C=CC=NC3=C2O)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O4/c1-2-3-11-21(27)25-19(13-12-16-8-5-4-6-9-16)18-15-20(26(29)30)17-10-7-14-24-22(17)23(18)28/h4-10,12-15,19,28H,2-3,11H2,1H3,(H,25,27)/b13-12+