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

Systemtic Name: 5,5-dimethyl-3-[(2-nitrophenyl)amino]-2-(phenylcarbonyl)cyclohex-2-en-1-one Openeye Name: 2-benzoyl-5,5-dimethyl-3-(2-nitroanilino)cyclohex-2-en-1-one CAS Name: 2-benzoyl-5,5-dimethyl-3-(2-nitroanilino)-1-cyclohex-2-enone IUPAC Name: 2-benzoyl-5,5-dimethyl-3-(2-nitroanilino)cyclohex-2-en-1-one Traditional Name: 2-benzoyl-5,5-dimethyl-3-(2-nitroanilino)cyclohex-2-en-1-one Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)C(=O)C2=CC=CC=C2)NC3=CC=CC=C3[N+](=O)[O-])C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)C(=O)C2=CC=CC=C2)NC3=CC=CC=C3[N+](=O)[O-])C

InChI

InChI=1S/C21H20N2O4/c1-21(2)12-16(22-15-10-6-7-11-17(15)23(26)27)19(18(24)13-21)20(25)14-8-4-3-5-9-14/h3-11,22H,12-13H2,1-2H3