2-[3-(cyclopropylmethylsulfonyl)-4-methoxy-phenoxy]-1,3-dimethyl-5-nitro-benzene

Systemtic Name: 2-[3-(cyclopropylmethylsulfonyl)-4-methoxy-phenoxy]-1,3-dimethyl-5-nitro-benzene Openeye Name: 2-[3-(cyclopropylmethylsulfonyl)-4-methoxy-phenoxy]-1,3-dimethyl-5-nitro-benzene CAS Name: 2-[3-(cyclopropylmethylsulfonyl)-4-methoxyphenoxy]-1,3-dimethyl-5-nitrobenzene IUPAC Name: 2-[3-(cyclopropylmethylsulfonyl)-4-methoxyphenoxy]-1,3-dimethyl-5-nitrobenzene Traditional Name: 2-[3-(cyclopropylmethylsulfonyl)-4-methoxy-phenoxy]-1,3-dimethyl-5-nitro-benzene Formula: C19H21NO6S MolecularWeight: 391.43814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)OC)S(=O)(=O)CC3CC3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)OC)S(=O)(=O)CC3CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C19H21NO6S/c1-12-8-15(20(21)22)9-13(2)19(12)26-16-6-7-17(25-3)18(10-16)27(23,24)11-14-4-5-14/h6-10,14H,4-5,11H2,1-3H3