ethyl 1-dodecyl-5-ethyl-4-nitro-pyrrole-2-carboxylate

Systemtic Name: ethyl 1-dodecyl-5-ethyl-4-nitro-pyrrole-2-carboxylate Openeye Name: ethyl 1-dodecyl-5-ethyl-4-nitro-pyrrole-2-carboxylate CAS Name: 1-dodecyl-5-ethyl-4-nitro-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-dodecyl-5-ethyl-4-nitropyrrole-2-carboxylate Traditional Name: 5-ethyl-1-lauryl-4-nitro-pyrrole-2-carboxylic acid ethyl ester Formula: C21H36N2O4 MolecularWeight: 380.52154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C(=CC(=C1CC)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCN1C(=CC(=C1CC)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C21H36N2O4/c1-4-7-8-9-10-11-12-13-14-15-16-22-18(5-2)19(23(25)26)17-20(22)21(24)27-6-3/h17H,4-16H2,1-3H3