1-butyl-N-[(E)-(2-nitrophenyl)methylideneamino]-2-oxidanyl-4-oxidanylidene-quinoline-3-carboxamide

Systemtic Name: 1-butyl-N-[(E)-(2-nitrophenyl)methylideneamino]-2-oxidanyl-4-oxidanylidene-quinoline-3-carboxamide Openeye Name: 1-butyl-2-hydroxy-N-[(E)-(2-nitrophenyl)methyleneamino]-4-oxo-quinoline-3-carboxamide CAS Name: 1-butyl-2-hydroxy-N-[(E)-(2-nitrophenyl)methylideneamino]-4-oxo-3-quinolinecarboxamide IUPAC Name: 1-butyl-2-hydroxy-N-[(E)-(2-nitrophenyl)methylideneamino]-4-oxoquinoline-3-carboxamide Traditional Name: 1-butyl-2-hydroxy-4-keto-N-[(E)-(2-nitrobenzylidene)amino]quinoline-3-carboxamide Formula: C21H20N4O5 MolecularWeight: 408.4073

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NN=CC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)N/N=C/C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O5/c1-2-3-12-24-17-11-7-5-9-15(17)19(26)18(21(24)28)20(27)23-22-13-14-8-4-6-10-16(14)25(29)30/h4-11,13,28H,2-3,12H2,1H3,(H,23,27)/b22-13+