3-hexanoyl-1-(4-nitrophenyl)carbonyl-2-oxidanyl-1,8-naphthyridin-4-one

Systemtic Name: 3-hexanoyl-1-(4-nitrophenyl)carbonyl-2-oxidanyl-1,8-naphthyridin-4-one Openeye Name: 3-hexanoyl-2-hydroxy-1-(4-nitrobenzoyl)-1,8-naphthyridin-4-one CAS Name: 2-hydroxy-1-[(4-nitrophenyl)-oxomethyl]-3-(1-oxohexyl)-1,8-naphthyridin-4-one IUPAC Name: 3-hexanoyl-2-hydroxy-1-(4-nitrobenzoyl)-1,8-naphthyridin-4-one Traditional Name: 3-caproyl-2-hydroxy-1-(4-nitrobenzoyl)-1,8-naphthyridin-4-one Formula: C21H19N3O6 MolecularWeight: 409.39206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C1=C(N(C2=C(C1=O)C=CC=N2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

CCCCCC(=O)C1=C(N(C2=C(C1=O)C=CC=N2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C21H19N3O6/c1-2-3-4-7-16(25)17-18(26)15-6-5-12-22-19(15)23(21(17)28)20(27)13-8-10-14(11-9-13)24(29)30/h5-6,8-12,28H,2-4,7H2,1H3