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

Systemtic Name: 2-[4-bromanyl-2-[(4-ethoxy-3-ethyl-5-oxidanylidene-1,2,4-triazol-1-yl)methyl]phenyl]carbonylcyclohexane-1,3-dione Openeye Name: 2-[4-bromo-2-[(4-ethoxy-3-ethyl-5-oxo-1,2,4-triazol-1-yl)methyl]benzoyl]cyclohexane-1,3-dione CAS Name: 2-[[4-bromo-2-[(4-ethoxy-3-ethyl-5-oxo-1,2,4-triazol-1-yl)methyl]phenyl]-oxomethyl]cyclohexane-1,3-dione IUPAC Name: 2-[4-bromo-2-[(4-ethoxy-3-ethyl-5-oxo-1,2,4-triazol-1-yl)methyl]benzoyl]cyclohexane-1,3-dione Traditional Name: 2-[4-bromo-2-[(4-ethoxy-3-ethyl-5-keto-1,2,4-triazol-1-yl)methyl]benzoyl]cyclohexane-1,3-quinone Formula: C20H22BrN3O5 MolecularWeight: 464.30978

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=O)N1OCC)CC2=C(C=CC(=C2)Br)C(=O)C3C(=O)CCCC3=O

Isomeric SMILES

CCC1=NN(C(=O)N1OCC)CC2=C(C=CC(=C2)Br)C(=O)C3C(=O)CCCC3=O

InChI

InChI=1S/C20H22BrN3O5/c1-3-17-22-23(20(28)24(17)29-4-2)11-12-10-13(21)8-9-14(12)19(27)18-15(25)6-5-7-16(18)26/h8-10,18H,3-7,11H2,1-2H3