prop-2-enyl 5-azanyl-1-[4-bromanyl-2,6-bis(chloranyl)phenyl]pyrazole-4-carboxylate

Systemtic Name: prop-2-enyl 5-azanyl-1-[4-bromanyl-2,6-bis(chloranyl)phenyl]pyrazole-4-carboxylate Openeye Name: allyl 5-amino-1-(4-bromo-2,6-dichloro-phenyl)pyrazole-4-carboxylate CAS Name: 5-amino-1-(4-bromo-2,6-dichlorophenyl)-4-pyrazolecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 5-amino-1-(4-bromo-2,6-dichlorophenyl)pyrazole-4-carboxylate Traditional Name: 5-amino-1-(4-bromo-2,6-dichloro-phenyl)pyrazole-4-carboxylic acid allyl ester Formula: C13H10BrCl2N3O2 MolecularWeight: 391.0474

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)C1=C(N(N=C1)C2=C(C=C(C=C2Cl)Br)Cl)N

Isomeric SMILES

C=CCOC(=O)C1=C(N(N=C1)C2=C(C=C(C=C2Cl)Br)Cl)N

InChI

InChI=1S/C13H10BrCl2N3O2/c1-2-3-21-13(20)8-6-18-19(12(8)17)11-9(15)4-7(14)5-10(11)16/h2,4-6H,1,3,17H2