4-methyl-1-(2,3,4,5-tetramethyl-6-nitro-phenyl)piperazine-2-carboxylic acid

Systemtic Name: 4-methyl-1-(2,3,4,5-tetramethyl-6-nitro-phenyl)piperazine-2-carboxylic acid Openeye Name: 4-methyl-1-(2,3,4,5-tetramethyl-6-nitro-phenyl)piperazine-2-carboxylic acid CAS Name: 4-methyl-1-(2,3,4,5-tetramethyl-6-nitrophenyl)-2-piperazinecarboxylic acid IUPAC Name: 4-methyl-1-(2,3,4,5-tetramethyl-6-nitrophenyl)piperazine-2-carboxylic acid Traditional Name: 4-methyl-1-(2,3,4,5-tetramethyl-6-nitro-phenyl)piperazine-2-carboxylic acid Formula: C16H23N3O4 MolecularWeight: 321.37152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)N2CCN(CC2C(=O)O)C)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)N2CCN(CC2C(=O)O)C)[N+](=O)[O-])C)C

InChI

InChI=1S/C16H23N3O4/c1-9-10(2)12(4)15(19(22)23)14(11(9)3)18-7-6-17(5)8-13(18)16(20)21/h13H,6-8H2,1-5H3,(H,20,21)