ethyl 5-azanyl-1-(4-chloranyl-3-nitro-phenyl)sulfonyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-(4-chloranyl-3-nitro-phenyl)sulfonyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-(4-chloro-3-nitro-phenyl)sulfonyl-pyrazole-4-carboxylate CAS Name: 5-amino-1-(4-chloro-3-nitrophenyl)sulfonyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-(4-chloro-3-nitrophenyl)sulfonylpyrazole-4-carboxylate Traditional Name: 5-amino-1-(4-chloro-3-nitro-phenyl)sulfonyl-pyrazole-4-carboxylic acid ethyl ester Formula: C12H11ClN4O6S MolecularWeight: 374.75694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11ClN4O6S/c1-2-23-12(18)8-6-15-16(11(8)14)24(21,22)7-3-4-9(13)10(5-7)17(19)20/h3-6H,2,14H2,1H3