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

Systemtic Name: 7-[(R)-(4-methylphenyl)-(2-methylpropanoylamino)methyl]-5-nitro-quinolin-8-olate Openeye Name: 7-[(R)-(2-methylpropanoylamino)-(p-tolyl)methyl]-5-nitro-quinolin-8-olate CAS Name: 7-[(R)-[(2-methyl-1-oxopropyl)amino]-(4-methylphenyl)methyl]-5-nitro-8-quinolinolate IUPAC Name: 7-[(R)-(4-methylphenyl)-(2-methylpropanoylamino)methyl]-5-nitroquinolin-8-olate Traditional Name: 7-[(R)-(isobutyrylamino)-(p-tolyl)methyl]-5-nitro-quinolin-8-olate Formula: C21H20N3O4- MolecularWeight: 378.4012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC(=C3C=CC=NC3=C2[O-])[N+](=O)[O-])NC(=O)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C2=CC(=C3C=CC=NC3=C2[O-])[N+](=O)[O-])NC(=O)C(C)C

InChI

InChI=1S/C21H21N3O4/c1-12(2)21(26)23-18(14-8-6-13(3)7-9-14)16-11-17(24(27)28)15-5-4-10-22-19(15)20(16)25/h4-12,18,25H,1-3H3,(H,23,26)/p-1/t18-/m1/s1