N,N-bis(2-hydroxyethyl)-3-nitro-4-(2-nitropropan-2-yl)benzenesulfonamide

Systemtic Name: N,N-bis(2-hydroxyethyl)-3-nitro-4-(2-nitropropan-2-yl)benzenesulfonamide Openeye Name: N,N-bis(2-hydroxyethyl)-4-(1-methyl-1-nitro-ethyl)-3-nitro-benzenesulfonamide CAS Name: N,N-bis(2-hydroxyethyl)-3-nitro-4-(2-nitropropan-2-yl)benzenesulfonamide IUPAC Name: N,N-bis(2-hydroxyethyl)-3-nitro-4-(2-nitropropan-2-yl)benzenesulfonamide Traditional Name: N,N-bis(2-hydroxyethyl)-4-(1-methyl-1-nitro-ethyl)-3-nitro-benzenesulfonamide Formula: C13H19N3O8S MolecularWeight: 377.37026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=C(C=C(C=C1)S(=O)(=O)N(CCO)CCO)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)(C1=C(C=C(C=C1)S(=O)(=O)N(CCO)CCO)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H19N3O8S/c1-13(2,16(21)22)11-4-3-10(9-12(11)15(19)20)25(23,24)14(5-7-17)6-8-18/h3-4,9,17-18H,5-8H2,1-2H3