3-methyl-4-(2-nitroethyl)-1H-pyrrole-2,5-dicarboxylic acid

Systemtic Name: 3-methyl-4-(2-nitroethyl)-1H-pyrrole-2,5-dicarboxylic acid Openeye Name: 3-methyl-4-(2-nitroethyl)-1H-pyrrole-2,5-dicarboxylic acid CAS Name: 3-methyl-4-(2-nitroethyl)-1H-pyrrole-2,5-dicarboxylic acid IUPAC Name: 3-methyl-4-(2-nitroethyl)-1H-pyrrole-2,5-dicarboxylic acid Traditional Name: 3-methyl-4-(2-nitroethyl)-1H-pyrrole-2,5-dicarboxylic acid Formula: C9H10N2O6 MolecularWeight: 242.1855

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10N2O6/c1-4-5(2-3-11(16)17)7(9(14)15)10-6(4)8(12)13/h10H,2-3H2,1H3,(H,12,13)(H,14,15)