3,4-bis(2-methyl-2-nitro-propyl)-1H-pyrrole-2,5-dicarboxylic acid

Systemtic Name: 3,4-bis(2-methyl-2-nitro-propyl)-1H-pyrrole-2,5-dicarboxylic acid Openeye Name: 3,4-bis(2-methyl-2-nitro-propyl)-1H-pyrrole-2,5-dicarboxylic acid CAS Name: 3,4-bis(2-methyl-2-nitropropyl)-1H-pyrrole-2,5-dicarboxylic acid IUPAC Name: 3,4-bis(2-methyl-2-nitropropyl)-1H-pyrrole-2,5-dicarboxylic acid Traditional Name: 3,4-bis(2-methyl-2-nitro-propyl)-1H-pyrrole-2,5-dicarboxylic acid Formula: C14H19N3O8 MolecularWeight: 357.31596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=C(NC(=C1CC(C)(C)[N+](=O)[O-])C(=O)O)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(C)(CC1=C(NC(=C1CC(C)(C)[N+](=O)[O-])C(=O)O)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C14H19N3O8/c1-13(2,16(22)23)5-7-8(6-14(3,4)17(24)25)10(12(20)21)15-9(7)11(18)19/h15H,5-6H2,1-4H3,(H,18,19)(H,20,21)