7-[(S)-(butanoylamino)-(furan-2-yl)methyl]-5-nitro-quinolin-8-olate

Systemtic Name: 7-[(S)-(butanoylamino)-(furan-2-yl)methyl]-5-nitro-quinolin-8-olate Openeye Name: 7-[(S)-(butanoylamino)-(2-furyl)methyl]-5-nitro-quinolin-8-olate CAS Name: 7-[(S)-2-furanyl-(1-oxobutylamino)methyl]-5-nitro-8-quinolinolate IUPAC Name: 7-[(S)-(butanoylamino)-(furan-2-yl)methyl]-5-nitroquinolin-8-olate Traditional Name: 7-[(S)-butyramido(2-furyl)methyl]-5-nitro-quinolin-8-olate Formula: C18H16N3O5- MolecularWeight: 354.33674

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(C1=CC=CO1)C2=CC(=C3C=CC=NC3=C2[O-])[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)N[C@H](C1=CC=CO1)C2=CC(=C3C=CC=NC3=C2[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O5/c1-2-5-15(22)20-16(14-7-4-9-26-14)12-10-13(21(24)25)11-6-3-8-19-17(11)18(12)23/h3-4,6-10,16,23H,2,5H2,1H3,(H,20,22)/p-1/t16-/m0/s1