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

Systemtic Name: (3-nitrophenyl)methyl 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: (3-nitrophenyl)methyl 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 3-methyl-1-phenyl-5-thieno[2,3-c]pyrazolecarboxylic acid (3-nitrophenyl)methyl ester IUPAC Name: (3-nitrophenyl)methyl 3-methyl-1-phenylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylic acid (3-nitrobenzyl) ester Formula: C20H15N3O4S MolecularWeight: 393.4158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)OCC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)OCC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C20H15N3O4S/c1-13-17-11-18(28-19(17)22(21-13)15-7-3-2-4-8-15)20(24)27-12-14-6-5-9-16(10-14)23(25)26/h2-11H,12H2,1H3