2-iodanyl-5,5-dimethyl-3-[(3-nitrophenyl)amino]cyclohex-2-en-1-one

Systemtic Name: 2-iodanyl-5,5-dimethyl-3-[(3-nitrophenyl)amino]cyclohex-2-en-1-one Openeye Name: 2-iodo-5,5-dimethyl-3-(3-nitroanilino)cyclohex-2-en-1-one CAS Name: 2-iodo-5,5-dimethyl-3-(3-nitroanilino)-1-cyclohex-2-enone IUPAC Name: 2-iodo-5,5-dimethyl-3-(3-nitroanilino)cyclohex-2-en-1-one Traditional Name: 2-iodo-5,5-dimethyl-3-(3-nitroanilino)cyclohex-2-en-1-one Formula: C14H15IN2O3 MolecularWeight: 386.18497

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15IN2O3/c1-14(2)7-11(13(15)12(18)8-14)16-9-4-3-5-10(6-9)17(19)20/h3-6,16H,7-8H2,1-2H3