ethyl 2,5-dimethyl-4-(4-nitrophenyl)-1-(4-oxidanylbutyl)pyrrole-3-carboxylate

Systemtic Name: ethyl 2,5-dimethyl-4-(4-nitrophenyl)-1-(4-oxidanylbutyl)pyrrole-3-carboxylate Openeye Name: ethyl 1-(4-hydroxybutyl)-2,5-dimethyl-4-(4-nitrophenyl)pyrrole-3-carboxylate CAS Name: 1-(4-hydroxybutyl)-2,5-dimethyl-4-(4-nitrophenyl)-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-hydroxybutyl)-2,5-dimethyl-4-(4-nitrophenyl)pyrrole-3-carboxylate Traditional Name: 1-(4-hydroxybutyl)-2,5-dimethyl-4-(4-nitrophenyl)pyrrole-3-carboxylic acid ethyl ester Formula: C19H24N2O5 MolecularWeight: 360.40426

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1C2=CC=C(C=C2)[N+](=O)[O-])C)CCCCO)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1C2=CC=C(C=C2)[N+](=O)[O-])C)CCCCO)C

InChI

InChI=1S/C19H24N2O5/c1-4-26-19(23)18-14(3)20(11-5-6-12-22)13(2)17(18)15-7-9-16(10-8-15)21(24)25/h7-10,22H,4-6,11-12H2,1-3H3