ethyl 5-azanyl-3-methylsulfonyl-1-(4-nitrophenyl)carbonyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-3-methylsulfonyl-1-(4-nitrophenyl)carbonyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-3-methylsulfonyl-1-(4-nitrobenzoyl)pyrazole-4-carboxylate CAS Name: 5-amino-3-methylsulfonyl-1-[(4-nitrophenyl)-oxomethyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-methylsulfonyl-1-(4-nitrobenzoyl)pyrazole-4-carboxylate Traditional Name: 5-amino-3-mesyl-1-(4-nitrobenzoyl)pyrazole-4-carboxylic acid ethyl ester Formula: C14H14N4O7S MolecularWeight: 382.34856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1S(=O)(=O)C)C(=O)C2=CC=C(C=C2)[N+](=O)[O-])N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1S(=O)(=O)C)C(=O)C2=CC=C(C=C2)[N+](=O)[O-])N

InChI

InChI=1S/C14H14N4O7S/c1-3-25-14(20)10-11(15)17(16-12(10)26(2,23)24)13(19)8-4-6-9(7-5-8)18(21)22/h4-7H,3,15H2,1-2H3