2-[4-bromanyl-2-[(3-ethoxy-4-methyl-5-oxidanylidene-1,2,4-triazol-1-yl)methyl]phenyl]carbonylcyclohexane-1,3-dione

Systemtic Name: 2-[4-bromanyl-2-[(3-ethoxy-4-methyl-5-oxidanylidene-1,2,4-triazol-1-yl)methyl]phenyl]carbonylcyclohexane-1,3-dione Openeye Name: 2-[4-bromo-2-[(3-ethoxy-4-methyl-5-oxo-1,2,4-triazol-1-yl)methyl]benzoyl]cyclohexane-1,3-dione CAS Name: 2-[[4-bromo-2-[(3-ethoxy-4-methyl-5-oxo-1,2,4-triazol-1-yl)methyl]phenyl]-oxomethyl]cyclohexane-1,3-dione IUPAC Name: 2-[4-bromo-2-[(3-ethoxy-4-methyl-5-oxo-1,2,4-triazol-1-yl)methyl]benzoyl]cyclohexane-1,3-dione Traditional Name: 2-[4-bromo-2-[(3-ethoxy-5-keto-4-methyl-1,2,4-triazol-1-yl)methyl]benzoyl]cyclohexane-1,3-quinone Formula: C19H20BrN3O5 MolecularWeight: 450.2832

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NN(C(=O)N1C)CC2=C(C=CC(=C2)Br)C(=O)C3C(=O)CCCC3=O

Isomeric SMILES

CCOC1=NN(C(=O)N1C)CC2=C(C=CC(=C2)Br)C(=O)C3C(=O)CCCC3=O

InChI

InChI=1S/C19H20BrN3O5/c1-3-28-18-21-23(19(27)22(18)2)10-11-9-12(20)7-8-13(11)17(26)16-14(24)5-4-6-15(16)25/h7-9,16H,3-6,10H2,1-2H3