(1,3-diphenylpyrazol-4-yl)methyl 5-nitrothiophene-2-carboxylate

Systemtic Name: (1,3-diphenylpyrazol-4-yl)methyl 5-nitrothiophene-2-carboxylate Openeye Name: (1,3-diphenylpyrazol-4-yl)methyl 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid (1,3-diphenyl-4-pyrazolyl)methyl ester IUPAC Name: (1,3-diphenylpyrazol-4-yl)methyl 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid (1,3-diphenylpyrazol-4-yl)methyl ester Formula: C21H15N3O4S MolecularWeight: 405.4265

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2COC(=O)C3=CC=C(S3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2COC(=O)C3=CC=C(S3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C21H15N3O4S/c25-21(18-11-12-19(29-18)24(26)27)28-14-16-13-23(17-9-5-2-6-10-17)22-20(16)15-7-3-1-4-8-15/h1-13H,14H2