2-(4-azanyl-2-chloranyl-6-nitro-phenyl)-5,5-dimethyl-cyclohexane-1,3-dione

Systemtic Name: 2-(4-azanyl-2-chloranyl-6-nitro-phenyl)-5,5-dimethyl-cyclohexane-1,3-dione Openeye Name: 2-(4-amino-2-chloro-6-nitro-phenyl)-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-(4-amino-2-chloro-6-nitrophenyl)-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-(4-amino-2-chloro-6-nitrophenyl)-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-(4-amino-2-chloro-6-nitro-phenyl)-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C14H15ClN2O4 MolecularWeight: 310.7329

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(C(=O)C1)C2=C(C=C(C=C2Cl)N)[N+](=O)[O-])C

Isomeric SMILES

CC1(CC(=O)C(C(=O)C1)C2=C(C=C(C=C2Cl)N)[N+](=O)[O-])C

InChI

InChI=1S/C14H15ClN2O4/c1-14(2)5-10(18)13(11(19)6-14)12-8(15)3-7(16)4-9(12)17(20)21/h3-4,13H,5-6,16H2,1-2H3