dimethyl 5-[[1-[(4-bromanylpyrazol-1-yl)methyl]pyrazol-3-yl]carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[1-[(4-bromanylpyrazol-1-yl)methyl]pyrazol-3-yl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[1-[(4-bromopyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[1-[(4-bromo-1-pyrazolyl)methyl]-3-pyrazolyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[1-[(4-bromopyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[1-[(4-bromopyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C18H16BrN5O5 MolecularWeight: 462.25414

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=NN(C=C2)CN3C=C(C=N3)Br)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=NN(C=C2)CN3C=C(C=N3)Br)C(=O)OC

InChI

InChI=1S/C18H16BrN5O5/c1-28-17(26)11-5-12(18(27)29-2)7-14(6-11)21-16(25)15-3-4-23(22-15)10-24-9-13(19)8-20-24/h3-9H,10H2,1-2H3,(H,21,25)