2-(2-chloranyl-6-methoxy-4-nitro-phenyl)cyclohexane-1,3-dione

Systemtic Name: 2-(2-chloranyl-6-methoxy-4-nitro-phenyl)cyclohexane-1,3-dione Openeye Name: 2-(2-chloro-6-methoxy-4-nitro-phenyl)cyclohexane-1,3-dione CAS Name: 2-(2-chloro-6-methoxy-4-nitrophenyl)cyclohexane-1,3-dione IUPAC Name: 2-(2-chloro-6-methoxy-4-nitrophenyl)cyclohexane-1,3-dione Traditional Name: 2-(2-chloro-6-methoxy-4-nitro-phenyl)cyclohexane-1,3-quinone Formula: C13H12ClNO5 MolecularWeight: 297.69108

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)[N+](=O)[O-])Cl)C2C(=O)CCCC2=O

Isomeric SMILES

COC1=C(C(=CC(=C1)[N+](=O)[O-])Cl)C2C(=O)CCCC2=O

InChI

InChI=1S/C13H12ClNO5/c1-20-11-6-7(15(18)19)5-8(14)12(11)13-9(16)3-2-4-10(13)17/h5-6,13H,2-4H2,1H3