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

Systemtic Name: 7-[(R)-(butanoylamino)-(3,4-dimethoxyphenyl)methyl]-5-nitro-quinolin-8-olate Openeye Name: 7-[(R)-(butanoylamino)-(3,4-dimethoxyphenyl)methyl]-5-nitro-quinolin-8-olate CAS Name: 7-[(R)-(3,4-dimethoxyphenyl)-(1-oxobutylamino)methyl]-5-nitro-8-quinolinolate IUPAC Name: 7-[(R)-(butanoylamino)-(3,4-dimethoxyphenyl)methyl]-5-nitroquinolin-8-olate Traditional Name: 7-[(R)-butyramido-(3,4-dimethoxyphenyl)methyl]-5-nitro-quinolin-8-olate Formula: C22H22N3O6- MolecularWeight: 424.42658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC(=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/c1-4-6-19(26)24-20(13-8-9-17(30-2)18(11-13)31-3)15-12-16(25(28)29)14-7-5-10-23-21(14)22(15)27/h5,7-12,20,27H,4,6H2,1-3H3,(H,24,26)/p-1/t20-/m1/s1