7-[(R)-(3-ethoxy-4-oxidanyl-phenyl)-(pentanoylamino)methyl]-5-nitro-quinolin-8-olate

Systemtic Name: 7-[(R)-(3-ethoxy-4-oxidanyl-phenyl)-(pentanoylamino)methyl]-5-nitro-quinolin-8-olate Openeye Name: 7-[(R)-(3-ethoxy-4-hydroxy-phenyl)-(pentanoylamino)methyl]-5-nitro-quinolin-8-olate CAS Name: 7-[(R)-(3-ethoxy-4-hydroxyphenyl)-(1-oxopentylamino)methyl]-5-nitro-8-quinolinolate IUPAC Name: 7-[(R)-(3-ethoxy-4-hydroxyphenyl)-(pentanoylamino)methyl]-5-nitroquinolin-8-olate Traditional Name: 7-[(R)-(3-ethoxy-4-hydroxy-phenyl)-(valerylamino)methyl]-5-nitro-quinolin-8-olate Formula: C23H24N3O6- MolecularWeight: 438.45316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCC(=O)N[C@H](C1=CC(=C(C=C1)O)OCC)C2=CC(=C3C=CC=NC3=C2[O-])[N+](=O)[O-]

InChI

InChI=1S/C23H25N3O6/c1-3-5-8-20(28)25-21(14-9-10-18(27)19(12-14)32-4-2)16-13-17(26(30)31)15-7-6-11-24-22(15)23(16)29/h6-7,9-13,21,27,29H,3-5,8H2,1-2H3,(H,25,28)/p-1/t21-/m1/s1