7-[(S)-(4-chlorophenyl)-(cyclohexylcarbonylamino)methyl]-5-nitro-quinolin-8-olate

Systemtic Name: 7-[(S)-(4-chlorophenyl)-(cyclohexylcarbonylamino)methyl]-5-nitro-quinolin-8-olate Openeye Name: 7-[(S)-(4-chlorophenyl)-(cyclohexanecarbonylamino)methyl]-5-nitro-quinolin-8-olate CAS Name: 7-[(S)-(4-chlorophenyl)-[[cyclohexyl(oxo)methyl]amino]methyl]-5-nitro-8-quinolinolate IUPAC Name: 7-[(S)-(4-chlorophenyl)-(cyclohexanecarbonylamino)methyl]-5-nitroquinolin-8-olate Traditional Name: 7-[(S)-(4-chlorophenyl)-(cyclohexanecarbonylamino)methyl]-5-nitro-quinolin-8-olate Formula: C23H21ClN3O4- MolecularWeight: 438.88354

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC(C2=CC=C(C=C2)Cl)C3=CC(=C4C=CC=NC4=C3[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)C(=O)N[C@@H](C2=CC=C(C=C2)Cl)C3=CC(=C4C=CC=NC4=C3[O-])[N+](=O)[O-]

InChI

InChI=1S/C23H22ClN3O4/c24-16-10-8-14(9-11-16)20(26-23(29)15-5-2-1-3-6-15)18-13-19(27(30)31)17-7-4-12-25-21(17)22(18)28/h4,7-13,15,20,28H,1-3,5-6H2,(H,26,29)/p-1/t20-/m0/s1