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

Systemtic Name: 7-[(S)-1,3-benzodioxol-5-yl-(cyclohexylcarbonylamino)methyl]-5-nitro-quinolin-8-olate Openeye Name: 7-[(S)-1,3-benzodioxol-5-yl-(cyclohexanecarbonylamino)methyl]-5-nitro-quinolin-8-olate CAS Name: 7-[(S)-1,3-benzodioxol-5-yl-[[cyclohexyl(oxo)methyl]amino]methyl]-5-nitro-8-quinolinolate IUPAC Name: 7-[(S)-1,3-benzodioxol-5-yl-(cyclohexanecarbonylamino)methyl]-5-nitroquinolin-8-olate Traditional Name: 7-[(S)-1,3-benzodioxol-5-yl-(cyclohexanecarbonylamino)methyl]-5-nitro-quinolin-8-olate Formula: C24H22N3O6- MolecularWeight: 448.44798

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC(C2=CC3=C(C=C2)OCO3)C4=CC(=C5C=CC=NC5=C4[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)C(=O)N[C@@H](C2=CC3=C(C=C2)OCO3)C4=CC(=C5C=CC=NC5=C4[O-])[N+](=O)[O-]

InChI

InChI=1S/C24H23N3O6/c28-23-17(12-18(27(30)31)16-7-4-10-25-22(16)23)21(26-24(29)14-5-2-1-3-6-14)15-8-9-19-20(11-15)33-13-32-19/h4,7-12,14,21,28H,1-3,5-6,13H2,(H,26,29)/p-1/t21-/m0/s1