5,5-dimethyl-2-[(E)-3-[(3-nitrophenyl)amino]-1-oxidanyl-prop-2-enylidene]cyclohexane-1,3-dione

Systemtic Name: 5,5-dimethyl-2-[(E)-3-[(3-nitrophenyl)amino]-1-oxidanyl-prop-2-enylidene]cyclohexane-1,3-dione Openeye Name: 2-[(E)-1-hydroxy-3-(3-nitroanilino)prop-2-enylidene]-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-[(E)-1-hydroxy-3-(3-nitroanilino)prop-2-enylidene]-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-[(E)-1-hydroxy-3-(3-nitroanilino)prop-2-enylidene]-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-[(E)-1-hydroxy-3-(3-nitroanilino)prop-2-enylidene]-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C17H18N2O5 MolecularWeight: 330.33522

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(=C(C=CNC2=CC(=CC=C2)[N+](=O)[O-])O)C(=O)C1)C

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O5/c1-17(2)9-14(21)16(15(22)10-17)13(20)6-7-18-11-4-3-5-12(8-11)19(23)24/h3-8,18,20H,9-10H2,1-2H3/b7-6+