5-[[(E)-(2-bromanyl-5-ethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]amino]-3-(cyanomethyl)-1-phenyl-pyrazole-4-carbonitrile

Systemtic Name: 5-[[(E)-(2-bromanyl-5-ethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]amino]-3-(cyanomethyl)-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 5-[[(E)-(2-bromo-5-ethoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]amino]-3-(cyanomethyl)-1-phenyl-pyrazole-4-carbonitrile CAS Name: 5-[[(E)-(2-bromo-5-ethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]amino]-3-(cyanomethyl)-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 5-[[(E)-(2-bromo-5-ethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]amino]-3-(cyanomethyl)-1-phenylpyrazole-4-carbonitrile Traditional Name: 5-[[(E)-(2-bromo-5-ethoxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methyl]amino]-3-(cyanomethyl)-1-phenyl-pyrazole-4-carbonitrile Formula: C21H16BrN5O2 MolecularWeight: 450.28804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CNC2=C(C(=NN2C3=CC=CC=C3)CC#N)C#N)C(=CC1=O)Br

Isomeric SMILES

CCOC1=C/C(=C\NC2=C(C(=NN2C3=CC=CC=C3)CC#N)C#N)/C(=CC1=O)Br

InChI

InChI=1S/C21H16BrN5O2/c1-2-29-20-10-14(17(22)11-19(20)28)13-25-21-16(12-24)18(8-9-23)26-27(21)15-6-4-3-5-7-15/h3-7,10-11,13,25H,2,8H2,1H3/b14-13+