7-[(R)-(4-chlorophenyl)-(2-methylpropanoylamino)methyl]-5-nitro-quinolin-8-olate

Systemtic Name: 7-[(R)-(4-chlorophenyl)-(2-methylpropanoylamino)methyl]-5-nitro-quinolin-8-olate Openeye Name: 7-[(R)-(4-chlorophenyl)-(2-methylpropanoylamino)methyl]-5-nitro-quinolin-8-olate CAS Name: 7-[(R)-(4-chlorophenyl)-[(2-methyl-1-oxopropyl)amino]methyl]-5-nitro-8-quinolinolate IUPAC Name: 7-[(R)-(4-chlorophenyl)-(2-methylpropanoylamino)methyl]-5-nitroquinolin-8-olate Traditional Name: 7-[(R)-(4-chlorophenyl)-(isobutyrylamino)methyl]-5-nitro-quinolin-8-olate Formula: C20H17ClN3O4- MolecularWeight: 398.81968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClN3O4/c1-11(2)20(26)23-17(12-5-7-13(21)8-6-12)15-10-16(24(27)28)14-4-3-9-22-18(14)19(15)25/h3-11,17,25H,1-2H3,(H,23,26)/p-1/t17-/m1/s1