7-[(R)-(4-methylphenyl)-(propanoylamino)methyl]-5-nitro-quinolin-8-olate

Systemtic Name: 7-[(R)-(4-methylphenyl)-(propanoylamino)methyl]-5-nitro-quinolin-8-olate Openeye Name: 5-nitro-7-[(R)-(propanoylamino)-(p-tolyl)methyl]quinolin-8-olate CAS Name: 7-[(R)-(4-methylphenyl)-(1-oxopropylamino)methyl]-5-nitro-8-quinolinolate IUPAC Name: 7-[(R)-(4-methylphenyl)-(propanoylamino)methyl]-5-nitroquinolin-8-olate Traditional Name: 5-nitro-7-[(R)-propionamido(p-tolyl)methyl]quinolin-8-olate Formula: C20H18N3O4- MolecularWeight: 364.37462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O4/c1-3-17(24)22-18(13-8-6-12(2)7-9-13)15-11-16(23(26)27)14-5-4-10-21-19(14)20(15)25/h4-11,18,25H,3H2,1-2H3,(H,22,24)/p-1/t18-/m1/s1