ethyl 3-[[(E)-(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]-4-phenyl-1H-pyrazole-5-carboxylate

Systemtic Name: ethyl 3-[[(E)-(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]-4-phenyl-1H-pyrazole-5-carboxylate Openeye Name: ethyl 3-[[(E)-(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]amino]-4-phenyl-1H-pyrazole-5-carboxylate CAS Name: 3-[[(E)-(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]-4-phenyl-1H-pyrazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[[(E)-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]-4-phenyl-1H-pyrazole-5-carboxylate Traditional Name: 3-[[(E)-(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)methyl]amino]-4-phenyl-1H-pyrazole-5-carboxylic acid ethyl ester Formula: C19H16BrN3O3 MolecularWeight: 414.25264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=NN1)NC=C2C=C(C=CC2=O)Br)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C(=NN1)N/C=C/2\C=C(C=CC2=O)Br)C3=CC=CC=C3

InChI

InChI=1S/C19H16BrN3O3/c1-2-26-19(25)17-16(12-6-4-3-5-7-12)18(23-22-17)21-11-13-10-14(20)8-9-15(13)24/h3-11H,2H2,1H3,(H2,21,22,23)/b13-11+