ethyl 1-hexyl-4-nitro-5-tridecyl-pyrrole-2-carboxylate

Systemtic Name: ethyl 1-hexyl-4-nitro-5-tridecyl-pyrrole-2-carboxylate Openeye Name: ethyl 1-hexyl-4-nitro-5-tridecyl-pyrrole-2-carboxylate CAS Name: 1-hexyl-4-nitro-5-tridecyl-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-hexyl-4-nitro-5-tridecylpyrrole-2-carboxylate Traditional Name: 1-hexyl-4-nitro-5-tridecyl-pyrrole-2-carboxylic acid ethyl ester Formula: C26H46N2O4 MolecularWeight: 450.65444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H46N2O4/c1-4-7-9-11-12-13-14-15-16-17-18-20-23-24(28(30)31)22-25(26(29)32-6-3)27(23)21-19-10-8-5-2/h22H,4-21H2,1-3H3