ethyl 5-butyl-4-nitro-1-propyl-pyrrole-2-carboxylate

Systemtic Name: ethyl 5-butyl-4-nitro-1-propyl-pyrrole-2-carboxylate Openeye Name: ethyl 5-butyl-4-nitro-1-propyl-pyrrole-2-carboxylate CAS Name: 5-butyl-4-nitro-1-propyl-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-butyl-4-nitro-1-propylpyrrole-2-carboxylate Traditional Name: 5-butyl-4-nitro-1-propyl-pyrrole-2-carboxylic acid ethyl ester Formula: C14H22N2O4 MolecularWeight: 282.33548

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=C(N1CCC)C(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=C(C=C(N1CCC)C(=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C14H22N2O4/c1-4-7-8-11-12(16(18)19)10-13(14(17)20-6-3)15(11)9-5-2/h10H,4-9H2,1-3H3