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

Systemtic Name: 7-[(R)-1,3-benzodioxol-5-yl-(propanoylamino)methyl]-5-nitro-quinolin-8-olate Openeye Name: 7-[(R)-1,3-benzodioxol-5-yl-(propanoylamino)methyl]-5-nitro-quinolin-8-olate CAS Name: 7-[(R)-1,3-benzodioxol-5-yl-(1-oxopropylamino)methyl]-5-nitro-8-quinolinolate IUPAC Name: 7-[(R)-1,3-benzodioxol-5-yl-(propanoylamino)methyl]-5-nitroquinolin-8-olate Traditional Name: 7-[(R)-1,3-benzodioxol-5-yl(propionamido)methyl]-5-nitro-quinolin-8-olate Formula: C20H16N3O6- MolecularWeight: 394.35754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O6/c1-2-17(24)22-18(11-5-6-15-16(8-11)29-10-28-15)13-9-14(23(26)27)12-4-3-7-21-19(12)20(13)25/h3-9,18,25H,2,10H2,1H3,(H,22,24)/p-1/t18-/m1/s1