2-butanoyl-5-(4-methoxy-3-nitro-phenyl)cyclohexane-1,3-dione

Systemtic Name: 2-butanoyl-5-(4-methoxy-3-nitro-phenyl)cyclohexane-1,3-dione Openeye Name: 2-butanoyl-5-(4-methoxy-3-nitro-phenyl)cyclohexane-1,3-dione CAS Name: 5-(4-methoxy-3-nitrophenyl)-2-(1-oxobutyl)cyclohexane-1,3-dione IUPAC Name: 2-butanoyl-5-(4-methoxy-3-nitrophenyl)cyclohexane-1,3-dione Traditional Name: 2-butyryl-5-(4-methoxy-3-nitro-phenyl)cyclohexane-1,3-quinone Formula: C17H19NO6 MolecularWeight: 333.33586

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1C(=O)CC(CC1=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)C1C(=O)CC(CC1=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H19NO6/c1-3-4-13(19)17-14(20)8-11(9-15(17)21)10-5-6-16(24-2)12(7-10)18(22)23/h5-7,11,17H,3-4,8-9H2,1-2H3