7-[(R)-1,3-benzodioxol-5-yl-(pentanoylamino)methyl]-5-nitro-quinolin-8-olate

Systemtic Name: 7-[(R)-1,3-benzodioxol-5-yl-(pentanoylamino)methyl]-5-nitro-quinolin-8-olate Openeye Name: 7-[(R)-1,3-benzodioxol-5-yl-(pentanoylamino)methyl]-5-nitro-quinolin-8-olate CAS Name: 7-[(R)-1,3-benzodioxol-5-yl-(1-oxopentylamino)methyl]-5-nitro-8-quinolinolate IUPAC Name: 7-[(R)-1,3-benzodioxol-5-yl-(pentanoylamino)methyl]-5-nitroquinolin-8-olate Traditional Name: 7-[(R)-1,3-benzodioxol-5-yl-(valerylamino)methyl]-5-nitro-quinolin-8-olate Formula: C22H20N3O6- MolecularWeight: 422.4107

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(C1=CC2=C(C=C1)OCO2)C3=CC(=C4C=CC=NC4=C3[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCC(=O)N[C@H](C1=CC2=C(C=C1)OCO2)C3=CC(=C4C=CC=NC4=C3[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O6/c1-2-3-6-19(26)24-20(13-7-8-17-18(10-13)31-12-30-17)15-11-16(25(28)29)14-5-4-9-23-21(14)22(15)27/h4-5,7-11,20,27H,2-3,6,12H2,1H3,(H,24,26)/p-1/t20-/m1/s1