ethyl 2,5-dimethyl-4-(4-nitrophenyl)-1-[4-(oxan-2-yloxy)butyl]pyrrole-3-carboxylate

Systemtic Name: ethyl 2,5-dimethyl-4-(4-nitrophenyl)-1-[4-(oxan-2-yloxy)butyl]pyrrole-3-carboxylate Openeye Name: ethyl 2,5-dimethyl-4-(4-nitrophenyl)-1-(4-tetrahydropyran-2-yloxybutyl)pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-4-(4-nitrophenyl)-1-[4-(2-oxanyloxy)butyl]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-4-(4-nitrophenyl)-1-[4-(oxan-2-yloxy)butyl]pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-4-(4-nitrophenyl)-1-(4-tetrahydropyran-2-yloxybutyl)pyrrole-3-carboxylic acid ethyl ester Formula: C24H32N2O6 MolecularWeight: 444.52068

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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)CCCCOC3CCCCO3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1C2=CC=C(C=C2)[N+](=O)[O-])C)CCCCOC3CCCCO3)C

InChI

InChI=1S/C24H32N2O6/c1-4-30-24(27)23-18(3)25(14-6-8-16-32-21-9-5-7-15-31-21)17(2)22(23)19-10-12-20(13-11-19)26(28)29/h10-13,21H,4-9,14-16H2,1-3H3