methyl 2-(4-chlorophenyl)-3-[(2-nitrophenyl)methyl]-5-thiophen-2-yl-4H-pyrazole-3-carboxylate

Systemtic Name: methyl 2-(4-chlorophenyl)-3-[(2-nitrophenyl)methyl]-5-thiophen-2-yl-4H-pyrazole-3-carboxylate Openeye Name: methyl 2-(4-chlorophenyl)-3-[(2-nitrophenyl)methyl]-5-(2-thienyl)-4H-pyrazole-3-carboxylate CAS Name: 2-(4-chlorophenyl)-3-[(2-nitrophenyl)methyl]-5-thiophen-2-yl-4H-pyrazole-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(4-chlorophenyl)-3-[(2-nitrophenyl)methyl]-5-thiophen-2-yl-4H-pyrazole-3-carboxylate Traditional Name: 2-(4-chlorophenyl)-3-(2-nitrobenzyl)-5-(2-thienyl)-2-pyrazoline-3-carboxylic acid methyl ester Formula: C22H18ClN3O4S MolecularWeight: 455.91402

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CC(=NN1C2=CC=C(C=C2)Cl)C3=CC=CS3)CC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1(CC(=NN1C2=CC=C(C=C2)Cl)C3=CC=CS3)CC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C22H18ClN3O4S/c1-30-21(27)22(13-15-5-2-3-6-19(15)26(28)29)14-18(20-7-4-12-31-20)24-25(22)17-10-8-16(23)9-11-17/h2-12H,13-14H2,1H3