6-hexyl-3-(4-nitrophenyl)carbonyl-2-oxidanyl-1H-quinolin-4-one

Systemtic Name: 6-hexyl-3-(4-nitrophenyl)carbonyl-2-oxidanyl-1H-quinolin-4-one Openeye Name: 6-hexyl-2-hydroxy-3-(4-nitrobenzoyl)-1H-quinolin-4-one CAS Name: 6-hexyl-2-hydroxy-3-[(4-nitrophenyl)-oxomethyl]-1H-quinolin-4-one IUPAC Name: 6-hexyl-2-hydroxy-3-(4-nitrobenzoyl)-1H-quinolin-4-one Traditional Name: 6-hexyl-2-hydroxy-3-(4-nitrobenzoyl)-4-quinolone Formula: C22H22N2O5 MolecularWeight: 394.42048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=C(C=C1)NC(=C(C2=O)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

CCCCCCC1=CC2=C(C=C1)NC(=C(C2=O)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C22H22N2O5/c1-2-3-4-5-6-14-7-12-18-17(13-14)21(26)19(22(27)23-18)20(25)15-8-10-16(11-9-15)24(28)29/h7-13H,2-6H2,1H3,(H2,23,26,27)