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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=CC(=C3C=CC=NC3=C2[O-])[N+](=O)[O-])NC(=O)C)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)[C@H](C2=CC(=C3C=CC=NC3=C2[O-])[N+](=O)[O-])NC(=O)C)O

InChI

InChI=1S/C20H19N3O6/c1-3-29-17-9-12(6-7-16(17)25)18(22-11(2)24)14-10-15(23(27)28)13-5-4-8-21-19(13)20(14)26/h4-10,18,25-26H,3H2,1-2H3,(H,22,24)/p-1/t18-/m1/s1