4-methylsulfonyl-6-nitro-2-(pyrrolidin-1-ylmethyl)-2,3-dihydro-1,4-benzoxazine

Systemtic Name: 4-methylsulfonyl-6-nitro-2-(pyrrolidin-1-ylmethyl)-2,3-dihydro-1,4-benzoxazine Openeye Name: 4-methylsulfonyl-6-nitro-2-(pyrrolidin-1-ylmethyl)-2,3-dihydro-1,4-benzoxazine CAS Name: 4-methylsulfonyl-6-nitro-2-(1-pyrrolidinylmethyl)-2,3-dihydro-1,4-benzoxazine IUPAC Name: 4-methylsulfonyl-6-nitro-2-(pyrrolidin-1-ylmethyl)-2,3-dihydro-1,4-benzoxazine Traditional Name: 4-mesyl-6-nitro-2-(pyrrolidinomethyl)-2,3-dihydro-1,4-benzoxazine Formula: C14H19N3O5S MolecularWeight: 341.38276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC(OC2=C1C=C(C=C2)[N+](=O)[O-])CN3CCCC3

Isomeric SMILES

CS(=O)(=O)N1CC(OC2=C1C=C(C=C2)[N+](=O)[O-])CN3CCCC3

InChI

InChI=1S/C14H19N3O5S/c1-23(20,21)16-10-12(9-15-6-2-3-7-15)22-14-5-4-11(17(18)19)8-13(14)16/h4-5,8,12H,2-3,6-7,9-10H2,1H3