3-[(2,5-dimethyl-4-nitro-phenyl)amino]-5,5-dimethyl-cyclohex-2-en-1-one

Systemtic Name: 3-[(2,5-dimethyl-4-nitro-phenyl)amino]-5,5-dimethyl-cyclohex-2-en-1-one Openeye Name: 3-(2,5-dimethyl-4-nitro-anilino)-5,5-dimethyl-cyclohex-2-en-1-one CAS Name: 3-(2,5-dimethyl-4-nitroanilino)-5,5-dimethyl-1-cyclohex-2-enone IUPAC Name: 3-(2,5-dimethyl-4-nitroanilino)-5,5-dimethylcyclohex-2-en-1-one Traditional Name: 3-(2,5-dimethyl-4-nitro-anilino)-5,5-dimethyl-cyclohex-2-en-1-one Formula: C16H20N2O3 MolecularWeight: 288.3416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1[N+](=O)[O-])C)NC2=CC(=O)CC(C2)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1[N+](=O)[O-])C)NC2=CC(=O)CC(C2)(C)C

InChI

InChI=1S/C16H20N2O3/c1-10-6-15(18(20)21)11(2)5-14(10)17-12-7-13(19)9-16(3,4)8-12/h5-7,17H,8-9H2,1-4H3