[methyl-[2-[(4-methyl-2,6-dinitro-phenyl)amino]propanoyl]amino] methanesulfonate

Systemtic Name: [methyl-[2-[(4-methyl-2,6-dinitro-phenyl)amino]propanoyl]amino] methanesulfonate Openeye Name: [methyl-[2-(4-methyl-2,6-dinitro-anilino)propanoyl]amino] methanesulfonate CAS Name: methanesulfonic acid [methyl-[2-(4-methyl-2,6-dinitroanilino)-1-oxopropyl]amino] ester IUPAC Name: [methyl-[2-(4-methyl-2,6-dinitroanilino)propanoyl]amino] methanesulfonate Traditional Name: methanesulfonic acid [methyl-[2-(4-methyl-2,6-dinitro-anilino)propanoyl]amino] ester Formula: C12H16N4O8S MolecularWeight: 376.34244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)[N+](=O)[O-])NC(C)C(=O)N(C)OS(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C(=C1)[N+](=O)[O-])NC(C)C(=O)N(C)OS(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C12H16N4O8S/c1-7-5-9(15(18)19)11(10(6-7)16(20)21)13-8(2)12(17)14(3)24-25(4,22)23/h5-6,8,13H,1-4H3