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

Systemtic Name: 7-[(R)-(3,4-dimethoxyphenyl)-(propanoylamino)methyl]-5-nitro-quinolin-8-olate Openeye Name: 7-[(R)-(3,4-dimethoxyphenyl)-(propanoylamino)methyl]-5-nitro-quinolin-8-olate CAS Name: 7-[(R)-(3,4-dimethoxyphenyl)-(1-oxopropylamino)methyl]-5-nitro-8-quinolinolate IUPAC Name: 7-[(R)-(3,4-dimethoxyphenyl)-(propanoylamino)methyl]-5-nitroquinolin-8-olate Traditional Name: 7-[(R)-(3,4-dimethoxyphenyl)-propionamido-methyl]-5-nitro-quinolin-8-olate Formula: C21H20N3O6- MolecularWeight: 410.4

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O6/c1-4-18(25)23-19(12-7-8-16(29-2)17(10-12)30-3)14-11-15(24(27)28)13-6-5-9-22-20(13)21(14)26/h5-11,19,26H,4H2,1-3H3,(H,23,25)/p-1/t19-/m1/s1