(4-pyrazol-1-ylphenyl)methyl 5-nitrothiophene-2-carboxylate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 5-nitrothiophene-2-carboxylate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid (4-pyrazol-1-ylbenzyl) ester Formula: C15H11N3O4S MolecularWeight: 329.33054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)C2=CC=C(C=C2)COC(=O)C3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

C1=CN(N=C1)C2=CC=C(C=C2)COC(=O)C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C15H11N3O4S/c19-15(13-6-7-14(23-13)18(20)21)22-10-11-2-4-12(5-3-11)17-9-1-8-16-17/h1-9H,10H2