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

Systemtic Name: ethyl 5-azanyl-1-(4-nitrophenyl)-3-(phenylsulfonylamino)pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-3-(benzenesulfonamido)-1-(4-nitrophenyl)pyrazole-4-carboxylate CAS Name: 5-amino-3-(benzenesulfonamido)-1-(4-nitrophenyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-(benzenesulfonamido)-1-(4-nitrophenyl)pyrazole-4-carboxylate Traditional Name: 5-amino-3-(benzenesulfonamido)-1-(4-nitrophenyl)pyrazole-4-carboxylic acid ethyl ester Formula: C18H17N5O6S MolecularWeight: 431.42248

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1NS(=O)(=O)C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-])N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1NS(=O)(=O)C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-])N

InChI

InChI=1S/C18H17N5O6S/c1-2-29-18(24)15-16(19)22(12-8-10-13(11-9-12)23(25)26)20-17(15)21-30(27,28)14-6-4-3-5-7-14/h3-11H,2,19H2,1H3,(H,20,21)