methyl 5-azanyl-1-[2,4,6-tris(bromanyl)phenyl]pyrazole-4-carboxylate

Systemtic Name: methyl 5-azanyl-1-[2,4,6-tris(bromanyl)phenyl]pyrazole-4-carboxylate Openeye Name: methyl 5-amino-1-(2,4,6-tribromophenyl)pyrazole-4-carboxylate CAS Name: 5-amino-1-(2,4,6-tribromophenyl)-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-amino-1-(2,4,6-tribromophenyl)pyrazole-4-carboxylate Traditional Name: 5-amino-1-(2,4,6-tribromophenyl)pyrazole-4-carboxylic acid methyl ester Formula: C11H8Br3N3O2 MolecularWeight: 453.91212

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(N=C1)C2=C(C=C(C=C2Br)Br)Br)N

Isomeric SMILES

COC(=O)C1=C(N(N=C1)C2=C(C=C(C=C2Br)Br)Br)N

InChI

InChI=1S/C11H8Br3N3O2/c1-19-11(18)6-4-16-17(10(6)15)9-7(13)2-5(12)3-8(9)14/h2-4H,15H2,1H3