dimethyl 5-[[3-(4-bromanylpyrazol-1-yl)-2-methyl-propanoyl]amino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[3-(4-bromanylpyrazol-1-yl)-2-methyl-propanoyl]amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[3-(4-bromopyrazol-1-yl)-2-methyl-propanoyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[3-(4-bromo-1-pyrazolyl)-2-methyl-1-oxopropyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[3-(4-bromopyrazol-1-yl)-2-methyl-propanoyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C17H18BrN3O5 MolecularWeight: 424.24592

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=C(C=N1)Br)C(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC

Isomeric SMILES

CC(CN1C=C(C=N1)Br)C(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC

InChI

InChI=1S/C17H18BrN3O5/c1-10(8-21-9-13(18)7-19-21)15(22)20-14-5-11(16(23)25-2)4-12(6-14)17(24)26-3/h4-7,9-10H,8H2,1-3H3,(H,20,22)