7-[(R)-acetamido-(3,4-dimethoxyphenyl)methyl]-5-nitro-quinolin-8-olate

Systemtic Name: 7-[(R)-acetamido-(3,4-dimethoxyphenyl)methyl]-5-nitro-quinolin-8-olate Openeye Name: 7-[(R)-acetamido-(3,4-dimethoxyphenyl)methyl]-5-nitro-quinolin-8-olate CAS Name: 7-[(R)-acetamido-(3,4-dimethoxyphenyl)methyl]-5-nitro-8-quinolinolate IUPAC Name: 7-[(R)-acetamido-(3,4-dimethoxyphenyl)methyl]-5-nitroquinolin-8-olate Traditional Name: 7-[(R)-acetamido-(3,4-dimethoxyphenyl)methyl]-5-nitro-quinolin-8-olate Formula: C20H18N3O6- MolecularWeight: 396.37342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O6/c1-11(24)22-18(12-6-7-16(28-2)17(9-12)29-3)14-10-15(23(26)27)13-5-4-8-21-19(13)20(14)25/h4-10,18,25H,1-3H3,(H,22,24)/p-1/t18-/m1/s1