7-[(R)-(butanoylamino)-(4-chlorophenyl)methyl]-5-nitro-quinolin-8-olate

Systemtic Name: 7-[(R)-(butanoylamino)-(4-chlorophenyl)methyl]-5-nitro-quinolin-8-olate Openeye Name: 7-[(R)-(butanoylamino)-(4-chlorophenyl)methyl]-5-nitro-quinolin-8-olate CAS Name: 7-[(R)-(4-chlorophenyl)-(1-oxobutylamino)methyl]-5-nitro-8-quinolinolate IUPAC Name: 7-[(R)-(butanoylamino)-(4-chlorophenyl)methyl]-5-nitroquinolin-8-olate Traditional Name: 7-[(R)-butyramido-(4-chlorophenyl)methyl]-5-nitro-quinolin-8-olate Formula: C20H17ClN3O4- MolecularWeight: 398.81968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClN3O4/c1-2-4-17(25)23-18(12-6-8-13(21)9-7-12)15-11-16(24(27)28)14-5-3-10-22-19(14)20(15)26/h3,5-11,18,26H,2,4H2,1H3,(H,23,25)/p-1/t18-/m1/s1