7-[(R)-1,3-benzodioxol-5-yl-(2-methylpropanoylamino)methyl]-5-nitro-quinolin-8-olate

Systemtic Name: 7-[(R)-1,3-benzodioxol-5-yl-(2-methylpropanoylamino)methyl]-5-nitro-quinolin-8-olate Openeye Name: 7-[(R)-1,3-benzodioxol-5-yl-(2-methylpropanoylamino)methyl]-5-nitro-quinolin-8-olate CAS Name: 7-[(R)-1,3-benzodioxol-5-yl-[(2-methyl-1-oxopropyl)amino]methyl]-5-nitro-8-quinolinolate IUPAC Name: 7-[(R)-1,3-benzodioxol-5-yl-(2-methylpropanoylamino)methyl]-5-nitroquinolin-8-olate Traditional Name: 7-[(R)-1,3-benzodioxol-5-yl-(isobutyrylamino)methyl]-5-nitro-quinolin-8-olate Formula: C21H18N3O6- MolecularWeight: 408.38412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O6/c1-11(2)21(26)23-18(12-5-6-16-17(8-12)30-10-29-16)14-9-15(24(27)28)13-4-3-7-22-19(13)20(14)25/h3-9,11,18,25H,10H2,1-2H3,(H,23,26)/p-1/t18-/m1/s1