7-[(S)-(3,4-dimethoxyphenyl)-(2-methylpropanoylamino)methyl]-5-nitro-quinolin-8-olate

Systemtic Name: 7-[(S)-(3,4-dimethoxyphenyl)-(2-methylpropanoylamino)methyl]-5-nitro-quinolin-8-olate Openeye Name: 7-[(S)-(3,4-dimethoxyphenyl)-(2-methylpropanoylamino)methyl]-5-nitro-quinolin-8-olate CAS Name: 7-[(S)-(3,4-dimethoxyphenyl)-[(2-methyl-1-oxopropyl)amino]methyl]-5-nitro-8-quinolinolate IUPAC Name: 7-[(S)-(3,4-dimethoxyphenyl)-(2-methylpropanoylamino)methyl]-5-nitroquinolin-8-olate Traditional Name: 7-[(S)-(3,4-dimethoxyphenyl)-(isobutyrylamino)methyl]-5-nitro-quinolin-8-olate Formula: C22H22N3O6- MolecularWeight: 424.42658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O6/c1-12(2)22(27)24-19(13-7-8-17(30-3)18(10-13)31-4)15-11-16(25(28)29)14-6-5-9-23-20(14)21(15)26/h5-12,19,26H,1-4H3,(H,24,27)/p-1/t19-/m0/s1