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

Systemtic Name: N-[(E)-1-(5-nitro-8-oxidanyl-quinolin-7-yl)-3-phenyl-prop-2-enyl]butanamide Openeye Name: N-[(E)-1-(8-hydroxy-5-nitro-7-quinolyl)-3-phenyl-allyl]butanamide CAS Name: N-[(E)-1-(8-hydroxy-5-nitro-7-quinolinyl)-3-phenylprop-2-enyl]butanamide IUPAC Name: N-[(E)-1-(8-hydroxy-5-nitroquinolin-7-yl)-3-phenylprop-2-enyl]butanamide Traditional Name: N-[(E)-1-(8-hydroxy-5-nitro-7-quinolyl)-3-phenyl-allyl]butyramide Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O4/c1-2-7-20(26)24-18(12-11-15-8-4-3-5-9-15)17-14-19(25(28)29)16-10-6-13-23-21(16)22(17)27/h3-6,8-14,18,27H,2,7H2,1H3,(H,24,26)/b12-11+