1-hexyl-N,N-bis(2-hydroxyethyl)-2-methyl-5-(4-nitrophenyl)pyrrole-3-carboxamide

Systemtic Name: 1-hexyl-N,N-bis(2-hydroxyethyl)-2-methyl-5-(4-nitrophenyl)pyrrole-3-carboxamide Openeye Name: 1-hexyl-N,N-bis(2-hydroxyethyl)-2-methyl-5-(4-nitrophenyl)pyrrole-3-carboxamide CAS Name: 1-hexyl-N,N-bis(2-hydroxyethyl)-2-methyl-5-(4-nitrophenyl)-3-pyrrolecarboxamide IUPAC Name: 1-hexyl-N,N-bis(2-hydroxyethyl)-2-methyl-5-(4-nitrophenyl)pyrrole-3-carboxamide Traditional Name: 1-hexyl-N,N-bis(2-hydroxyethyl)-2-methyl-5-(4-nitrophenyl)pyrrole-3-carboxamide Formula: C22H31N3O5 MolecularWeight: 417.49864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=C(C=C1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)N(CCO)CCO)C

Isomeric SMILES

CCCCCCN1C(=C(C=C1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)N(CCO)CCO)C

InChI

InChI=1S/C22H31N3O5/c1-3-4-5-6-11-24-17(2)20(22(28)23(12-14-26)13-15-27)16-21(24)18-7-9-19(10-8-18)25(29)30/h7-10,16,26-27H,3-6,11-15H2,1-2H3