7-[(R)-(butanoylamino)-(3-ethoxy-4-oxidanyl-phenyl)methyl]-5-nitro-quinolin-8-olate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O6/c1-3-6-19(27)24-20(13-8-9-17(26)18(11-13)31-4-2)15-12-16(25(29)30)14-7-5-10-23-21(14)22(15)28/h5,7-12,20,26,28H,3-4,6H2,1-2H3,(H,24,27)/p-1/t20-/m1/s1