2-methylpropyl 4-chloranyl-3-(3-nitrophenyl)-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: 2-methylpropyl 4-chloranyl-3-(3-nitrophenyl)-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: isobutyl 4-chloro-3-(3-nitrophenyl)-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 4-chloro-3-(3-nitrophenyl)-1-phenyl-5-thieno[2,3-c]pyrazolecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-chloro-3-(3-nitrophenyl)-1-phenylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 4-chloro-3-(3-nitrophenyl)-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylic acid isobutyl ester Formula: C22H18ClN3O4S MolecularWeight: 455.91402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=C(C2=C(S1)N(N=C2C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4)Cl

Isomeric SMILES

CC(C)COC(=O)C1=C(C2=C(S1)N(N=C2C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4)Cl

InChI

InChI=1S/C22H18ClN3O4S/c1-13(2)12-30-22(27)20-18(23)17-19(14-7-6-10-16(11-14)26(28)29)24-25(21(17)31-20)15-8-4-3-5-9-15/h3-11,13H,12H2,1-2H3