3-[(5-nitro-2-oxidanyl-phenyl)carbamoyl]-4-oxidanylidene-1-pentyl-quinolin-2-olate

Systemtic Name: 3-[(5-nitro-2-oxidanyl-phenyl)carbamoyl]-4-oxidanylidene-1-pentyl-quinolin-2-olate Openeye Name: 3-[(2-hydroxy-5-nitro-phenyl)carbamoyl]-4-oxo-1-pentyl-quinolin-2-olate CAS Name: 3-[(2-hydroxy-5-nitroanilino)-oxomethyl]-4-oxo-1-pentyl-2-quinolinolate IUPAC Name: 3-[(2-hydroxy-5-nitrophenyl)carbamoyl]-4-oxo-1-pentylquinolin-2-olate Traditional Name: 1-amyl-3-[(2-hydroxy-5-nitro-phenyl)carbamoyl]-4-keto-quinolin-2-olate Formula: C21H20N3O6- MolecularWeight: 410.4

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=CC=CC=C2C(=O)C(=C1[O-])C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

CCCCCN1C2=CC=CC=C2C(=O)C(=C1[O-])C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C21H21N3O6/c1-2-3-6-11-23-16-8-5-4-7-14(16)19(26)18(21(23)28)20(27)22-15-12-13(24(29)30)9-10-17(15)25/h4-5,7-10,12,25,28H,2-3,6,11H2,1H3,(H,22,27)/p-1