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

Systemtic Name: 5,5-dimethyl-3-[(3-nitrophenyl)amino]-2-pentanoyl-cyclohex-2-en-1-one Openeye Name: 5,5-dimethyl-3-(3-nitroanilino)-2-pentanoyl-cyclohex-2-en-1-one CAS Name: 5,5-dimethyl-3-(3-nitroanilino)-2-(1-oxopentyl)-1-cyclohex-2-enone IUPAC Name: 5,5-dimethyl-3-(3-nitroanilino)-2-pentanoylcyclohex-2-en-1-one Traditional Name: 5,5-dimethyl-3-(3-nitroanilino)-2-valeryl-cyclohex-2-en-1-one Formula: C19H24N2O4 MolecularWeight: 344.40486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O4/c1-4-5-9-16(22)18-15(11-19(2,3)12-17(18)23)20-13-7-6-8-14(10-13)21(24)25/h6-8,10,20H,4-5,9,11-12H2,1-3H3