3,4-dimethyl-1-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)furo[2,3-c]pyrazole-5-carboxylic acid

Systemtic Name: 3,4-dimethyl-1-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)furo[2,3-c]pyrazole-5-carboxylic acid Openeye Name: 3,4-dimethyl-1-(4-morpholinosulfonyl-2-nitro-phenyl)furo[2,3-c]pyrazole-5-carboxylic acid CAS Name: 3,4-dimethyl-1-[4-(4-morpholinylsulfonyl)-2-nitrophenyl]-5-furo[2,3-c]pyrazolecarboxylic acid IUPAC Name: 3,4-dimethyl-1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)furo[2,3-c]pyrazole-5-carboxylic acid Traditional Name: 3,4-dimethyl-1-(4-morpholinosulfonyl-2-nitro-phenyl)furo[2,3-c]pyrazole-5-carboxylic acid Formula: C18H18N4O8S MolecularWeight: 450.42252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NN2C3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-])C)C(=O)O

Isomeric SMILES

CC1=C(OC2=C1C(=NN2C3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-])C)C(=O)O

InChI

InChI=1S/C18H18N4O8S/c1-10-15-11(2)19-21(17(15)30-16(10)18(23)24)13-4-3-12(9-14(13)22(25)26)31(27,28)20-5-7-29-8-6-20/h3-4,9H,5-8H2,1-2H3,(H,23,24)