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

Systemtic Name: 5,5-dimethyl-3-[(4-nitrophenyl)amino]-2-(2-phenylethanoyl)cyclohex-2-en-1-one Openeye Name: 5,5-dimethyl-3-(4-nitroanilino)-2-(2-phenylacetyl)cyclohex-2-en-1-one CAS Name: 5,5-dimethyl-3-(4-nitroanilino)-2-(1-oxo-2-phenylethyl)-1-cyclohex-2-enone IUPAC Name: 5,5-dimethyl-3-(4-nitroanilino)-2-(2-phenylacetyl)cyclohex-2-en-1-one Traditional Name: 5,5-dimethyl-3-(4-nitroanilino)-2-(2-phenylacetyl)cyclohex-2-en-1-one Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)C(=O)CC2=CC=CC=C2)NC3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)C(=O)CC2=CC=CC=C2)NC3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C22H22N2O4/c1-22(2)13-18(23-16-8-10-17(11-9-16)24(27)28)21(20(26)14-22)19(25)12-15-6-4-3-5-7-15/h3-11,23H,12-14H2,1-2H3