diethyl 5-(3-bromophenyl)carbonyl-1,4-dihydropyrazole-3,5-dicarboxylate

Systemtic Name: diethyl 5-(3-bromophenyl)carbonyl-1,4-dihydropyrazole-3,5-dicarboxylate Openeye Name: diethyl 5-(3-bromobenzoyl)-1,4-dihydropyrazole-3,5-dicarboxylate CAS Name: 5-[(3-bromophenyl)-oxomethyl]-1,4-dihydropyrazole-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-(3-bromobenzoyl)-1,4-dihydropyrazole-3,5-dicarboxylate Traditional Name: 3-(3-bromobenzoyl)-2-pyrazoline-3,5-dicarboxylic acid diethyl ester Formula: C16H17BrN2O5 MolecularWeight: 397.22058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NNC(C1)(C(=O)C2=CC(=CC=C2)Br)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=NNC(C1)(C(=O)C2=CC(=CC=C2)Br)C(=O)OCC

InChI

InChI=1S/C16H17BrN2O5/c1-3-23-14(21)12-9-16(19-18-12,15(22)24-4-2)13(20)10-6-5-7-11(17)8-10/h5-8,19H,3-4,9H2,1-2H3