7-[(S)-(2-chlorophenyl)-(pentanoylamino)methyl]-5-nitro-quinolin-8-olate

Systemtic Name: 7-[(S)-(2-chlorophenyl)-(pentanoylamino)methyl]-5-nitro-quinolin-8-olate Openeye Name: 7-[(S)-(2-chlorophenyl)-(pentanoylamino)methyl]-5-nitro-quinolin-8-olate CAS Name: 7-[(S)-(2-chlorophenyl)-(1-oxopentylamino)methyl]-5-nitro-8-quinolinolate IUPAC Name: 7-[(S)-(2-chlorophenyl)-(pentanoylamino)methyl]-5-nitroquinolin-8-olate Traditional Name: 7-[(S)-(2-chlorophenyl)-(valerylamino)methyl]-5-nitro-quinolin-8-olate Formula: C21H19ClN3O4- MolecularWeight: 412.84626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(C1=CC=CC=C1Cl)C2=CC(=C3C=CC=NC3=C2[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCC(=O)N[C@H](C1=CC=CC=C1Cl)C2=CC(=C3C=CC=NC3=C2[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H20ClN3O4/c1-2-3-10-18(26)24-19(13-7-4-5-9-16(13)22)15-12-17(25(28)29)14-8-6-11-23-20(14)21(15)27/h4-9,11-12,19,27H,2-3,10H2,1H3,(H,24,26)/p-1/t19-/m1/s1