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

Systemtic Name: 7-[(S)-(2-methoxyphenyl)-(pentanoylamino)methyl]-5-nitro-quinolin-8-olate Openeye Name: 7-[(S)-(2-methoxyphenyl)-(pentanoylamino)methyl]-5-nitro-quinolin-8-olate CAS Name: 7-[(S)-(2-methoxyphenyl)-(1-oxopentylamino)methyl]-5-nitro-8-quinolinolate IUPAC Name: 7-[(S)-(2-methoxyphenyl)-(pentanoylamino)methyl]-5-nitroquinolin-8-olate Traditional Name: 7-[(S)-(2-methoxyphenyl)-(valerylamino)methyl]-5-nitro-quinolin-8-olate Formula: C22H22N3O5- MolecularWeight: 408.42718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(C1=CC=CC=C1OC)C2=CC(=C3C=CC=NC3=C2[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCC(=O)N[C@H](C1=CC=CC=C1OC)C2=CC(=C3C=CC=NC3=C2[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H23N3O5/c1-3-4-11-19(26)24-20(15-8-5-6-10-18(15)30-2)16-13-17(25(28)29)14-9-7-12-23-21(14)22(16)27/h5-10,12-13,20,27H,3-4,11H2,1-2H3,(H,24,26)/p-1/t20-/m1/s1