ethyl 4-(2-methylpropylsulfonyl)-6-nitro-1-phenyl-indazole-3-carboxylate

Systemtic Name: ethyl 4-(2-methylpropylsulfonyl)-6-nitro-1-phenyl-indazole-3-carboxylate Openeye Name: ethyl 4-isobutylsulfonyl-6-nitro-1-phenyl-indazole-3-carboxylate CAS Name: 4-(2-methylpropylsulfonyl)-6-nitro-1-phenyl-3-indazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-methylpropylsulfonyl)-6-nitro-1-phenylindazole-3-carboxylate Traditional Name: 4-isobutylsulfonyl-6-nitro-1-phenyl-indazole-3-carboxylic acid ethyl ester Formula: C20H21N3O6S MolecularWeight: 431.46224

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C2=CC(=CC(=C21)S(=O)(=O)CC(C)C)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=NN(C2=CC(=CC(=C21)S(=O)(=O)CC(C)C)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C20H21N3O6S/c1-4-29-20(24)19-18-16(22(21-19)14-8-6-5-7-9-14)10-15(23(25)26)11-17(18)30(27,28)12-13(2)3/h5-11,13H,4,12H2,1-3H3