1-hexyl-4-nitro-5-tridecyl-pyrrole-2-carboxylic acid

Systemtic Name: 1-hexyl-4-nitro-5-tridecyl-pyrrole-2-carboxylic acid Openeye Name: 1-hexyl-4-nitro-5-tridecyl-pyrrole-2-carboxylic acid CAS Name: 1-hexyl-4-nitro-5-tridecyl-2-pyrrolecarboxylic acid IUPAC Name: 1-hexyl-4-nitro-5-tridecylpyrrole-2-carboxylic acid Traditional Name: 1-hexyl-4-nitro-5-tridecyl-pyrrole-2-carboxylic acid Formula: C24H42N2O4 MolecularWeight: 422.60128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1=C(C=C(N1CCCCCC)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCC1=C(C=C(N1CCCCCC)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C24H42N2O4/c1-3-5-7-9-10-11-12-13-14-15-16-18-21-22(26(29)30)20-23(24(27)28)25(21)19-17-8-6-4-2/h20H,3-19H2,1-2H3,(H,27,28)