5-nitro-7-[(R)-(pentanoylamino)-phenyl-methyl]quinolin-8-olate

Systemtic Name: 5-nitro-7-[(R)-(pentanoylamino)-phenyl-methyl]quinolin-8-olate Openeye Name: 5-nitro-7-[(R)-(pentanoylamino)-phenyl-methyl]quinolin-8-olate CAS Name: 5-nitro-7-[(R)-(1-oxopentylamino)-phenylmethyl]-8-quinolinolate IUPAC Name: 5-nitro-7-[(R)-(pentanoylamino)-phenylmethyl]quinolin-8-olate Traditional Name: 5-nitro-7-[(R)-phenyl-(valerylamino)methyl]quinolin-8-olate Formula: C21H20N3O4- MolecularWeight: 378.4012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4/c1-2-3-11-18(25)23-19(14-8-5-4-6-9-14)16-13-17(24(27)28)15-10-7-12-22-20(15)21(16)26/h4-10,12-13,19,26H,2-3,11H2,1H3,(H,23,25)/p-1/t19-/m1/s1