methyl 1-(2-azanyl-2-oxidanylidene-ethyl)-4-bromanyl-pyrazole-3-carboxylate

Systemtic Name: methyl 1-(2-azanyl-2-oxidanylidene-ethyl)-4-bromanyl-pyrazole-3-carboxylate Openeye Name: methyl 1-(2-amino-2-oxo-ethyl)-4-bromo-pyrazole-3-carboxylate CAS Name: 1-(2-amino-2-oxoethyl)-4-bromo-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 1-(2-amino-2-oxoethyl)-4-bromopyrazole-3-carboxylate Traditional Name: 1-(2-amino-2-keto-ethyl)-4-bromo-pyrazole-3-carboxylic acid methyl ester Formula: C7H8BrN3O3 MolecularWeight: 262.06072

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN(C=C1Br)CC(=O)N

Isomeric SMILES

COC(=O)C1=NN(C=C1Br)CC(=O)N

InChI

InChI=1S/C7H8BrN3O3/c1-14-7(13)6-4(8)2-11(10-6)3-5(9)12/h2H,3H2,1H3,(H2,9,12)