2-butyl-5-methoxy-6-methyl-3-(3-nitrophenyl)cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2-butyl-5-methoxy-6-methyl-3-(3-nitrophenyl)cyclohexa-2,5-diene-1,4-dione Openeye Name: 2-butyl-5-methoxy-6-methyl-3-(3-nitrophenyl)-1,4-benzoquinone CAS Name: 2-butyl-5-methoxy-6-methyl-3-(3-nitrophenyl)cyclohexa-2,5-diene-1,4-dione IUPAC Name: 2-butyl-5-methoxy-6-methyl-3-(3-nitrophenyl)cyclohexa-2,5-diene-1,4-dione Traditional Name: 2-butyl-5-methoxy-6-methyl-3-(3-nitrophenyl)-p-benzoquinone Formula: C18H19NO5 MolecularWeight: 329.34716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=O)C(=C(C1=O)C)OC)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=C(C(=O)C(=C(C1=O)C)OC)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H19NO5/c1-4-5-9-14-15(12-7-6-8-13(10-12)19(22)23)17(21)18(24-3)11(2)16(14)20/h6-8,10H,4-5,9H2,1-3H3