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

Systemtic Name: 7-[(R)-1,3-benzodioxol-5-yl-(butanoylamino)methyl]-5-nitro-quinolin-8-olate Openeye Name: 7-[(R)-1,3-benzodioxol-5-yl-(butanoylamino)methyl]-5-nitro-quinolin-8-olate CAS Name: 7-[(R)-1,3-benzodioxol-5-yl-(1-oxobutylamino)methyl]-5-nitro-8-quinolinolate IUPAC Name: 7-[(R)-1,3-benzodioxol-5-yl-(butanoylamino)methyl]-5-nitroquinolin-8-olate Traditional Name: 7-[(R)-1,3-benzodioxol-5-yl(butyramido)methyl]-5-nitro-quinolin-8-olate Formula: C21H18N3O6- MolecularWeight: 408.38412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O6/c1-2-4-18(25)23-19(12-6-7-16-17(9-12)30-11-29-16)14-10-15(24(27)28)13-5-3-8-22-20(13)21(14)26/h3,5-10,19,26H,2,4,11H2,1H3,(H,23,25)/p-1/t19-/m1/s1