5-(3,4-dimethoxyphenyl)-2-methylsulfonyl-3-(3-nitrophenyl)-3,4-dihydropyrazole

Systemtic Name: 5-(3,4-dimethoxyphenyl)-2-methylsulfonyl-3-(3-nitrophenyl)-3,4-dihydropyrazole Openeye Name: 5-(3,4-dimethoxyphenyl)-2-methylsulfonyl-3-(3-nitrophenyl)-3,4-dihydropyrazole CAS Name: 5-(3,4-dimethoxyphenyl)-2-methylsulfonyl-3-(3-nitrophenyl)-3,4-dihydropyrazole IUPAC Name: 5-(3,4-dimethoxyphenyl)-2-methylsulfonyl-3-(3-nitrophenyl)-3,4-dihydropyrazole Traditional Name: 3-(3,4-dimethoxyphenyl)-1-mesyl-5-(3-nitrophenyl)-2-pyrazoline Formula: C18H19N3O6S MolecularWeight: 405.42496

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(C2)C3=CC(=CC=C3)[N+](=O)[O-])S(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(C2)C3=CC(=CC=C3)[N+](=O)[O-])S(=O)(=O)C)OC

InChI

InChI=1S/C18H19N3O6S/c1-26-17-8-7-12(10-18(17)27-2)15-11-16(20(19-15)28(3,24)25)13-5-4-6-14(9-13)21(22)23/h4-10,16H,11H2,1-3H3