ethyl 3,5-dimethyl-1-(3-nitrophenyl)sulfonyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 3,5-dimethyl-1-(3-nitrophenyl)sulfonyl-pyrazole-4-carboxylate Openeye Name: ethyl 3,5-dimethyl-1-(3-nitrophenyl)sulfonyl-pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-(3-nitrophenyl)sulfonyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3,5-dimethyl-1-(3-nitrophenyl)sulfonylpyrazole-4-carboxylate Traditional Name: 3,5-dimethyl-1-(3-nitrophenyl)sulfonyl-pyrazole-4-carboxylic acid ethyl ester Formula: C14H15N3O6S MolecularWeight: 353.3504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1C)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1C)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])C

InChI

InChI=1S/C14H15N3O6S/c1-4-23-14(18)13-9(2)15-16(10(13)3)24(21,22)12-7-5-6-11(8-12)17(19)20/h5-8H,4H2,1-3H3