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

Systemtic Name: ethyl 5-heptyl-1-hexyl-4-nitro-pyrrole-2-carboxylate Openeye Name: ethyl 5-heptyl-1-hexyl-4-nitro-pyrrole-2-carboxylate CAS Name: 5-heptyl-1-hexyl-4-nitro-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-heptyl-1-hexyl-4-nitropyrrole-2-carboxylate Traditional Name: 5-heptyl-1-hexyl-4-nitro-pyrrole-2-carboxylic acid ethyl ester Formula: C20H34N2O4 MolecularWeight: 366.49496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(C=C(N1CCCCCC)C(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCC1=C(C=C(N1CCCCCC)C(=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C20H34N2O4/c1-4-7-9-11-12-14-17-18(22(24)25)16-19(20(23)26-6-3)21(17)15-13-10-8-5-2/h16H,4-15H2,1-3H3