4-chloranyl-2-methyl-4-nitro-cyclohexa-2,5-dien-1-one

Systemtic Name: 4-chloranyl-2-methyl-4-nitro-cyclohexa-2,5-dien-1-one Openeye Name: 4-chloro-2-methyl-4-nitro-cyclohexa-2,5-dien-1-one CAS Name: 4-chloro-2-methyl-4-nitro-1-cyclohexa-2,5-dienone IUPAC Name: 4-chloro-2-methyl-4-nitrocyclohexa-2,5-dien-1-one Traditional Name: 4-chloro-2-methyl-4-nitro-cyclohexa-2,5-dien-1-one Formula: C7H6ClNO3 MolecularWeight: 187.58044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(C=CC1=O)([N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC(C=CC1=O)([N+](=O)[O-])Cl

InChI

InChI=1S/C7H6ClNO3/c1-5-4-7(8,9(11)12)3-2-6(5)10/h2-4H,1H3