5-nitro-7-[(E,1R)-1-(pentanoylamino)-3-phenyl-prop-2-enyl]quinolin-8-olate

Systemtic Name: 5-nitro-7-[(E,1R)-1-(pentanoylamino)-3-phenyl-prop-2-enyl]quinolin-8-olate Openeye Name: 5-nitro-7-[(E,1R)-1-(pentanoylamino)-3-phenyl-allyl]quinolin-8-olate CAS Name: 5-nitro-7-[(E,1R)-1-(1-oxopentylamino)-3-phenylprop-2-enyl]-8-quinolinolate IUPAC Name: 5-nitro-7-[(E,1R)-1-(pentanoylamino)-3-phenylprop-2-enyl]quinolin-8-olate Traditional Name: 5-nitro-7-[(E,1R)-3-phenyl-1-(valerylamino)allyl]quinolin-8-olate Formula: C23H22N3O4- MolecularWeight: 404.43848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCC(=O)N[C@H](/C=C/C1=CC=CC=C1)C2=CC(=C3C=CC=NC3=C2[O-])[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)/p-1/b13-12+/t19-/m1/s1