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

Systemtic Name: 2-butanoyl-5,5-dimethyl-3-[(4-nitrophenyl)amino]cyclohex-2-en-1-one Openeye Name: 2-butanoyl-5,5-dimethyl-3-(4-nitroanilino)cyclohex-2-en-1-one CAS Name: 5,5-dimethyl-3-(4-nitroanilino)-2-(1-oxobutyl)-1-cyclohex-2-enone IUPAC Name: 2-butanoyl-5,5-dimethyl-3-(4-nitroanilino)cyclohex-2-en-1-one Traditional Name: 2-butyryl-5,5-dimethyl-3-(4-nitroanilino)cyclohex-2-en-1-one Formula: C18H22N2O4 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O4/c1-4-5-15(21)17-14(10-18(2,3)11-16(17)22)19-12-6-8-13(9-7-12)20(23)24/h6-9,19H,4-5,10-11H2,1-3H3