methyl 9-[5-hexyl-1-(4-nitrophenyl)pyrrol-3-yl]nonanoate

Systemtic Name: methyl 9-[5-hexyl-1-(4-nitrophenyl)pyrrol-3-yl]nonanoate Openeye Name: methyl 9-[5-hexyl-1-(4-nitrophenyl)pyrrol-3-yl]nonanoate CAS Name: 9-[5-hexyl-1-(4-nitrophenyl)-3-pyrrolyl]nonanoic acid methyl ester IUPAC Name: methyl 9-[5-hexyl-1-(4-nitrophenyl)pyrrol-3-yl]nonanoate Traditional Name: 9-[5-hexyl-1-(4-nitrophenyl)pyrrol-3-yl]pelargonic acid methyl ester Formula: C26H38N2O4 MolecularWeight: 442.59092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC(=CN1C2=CC=C(C=C2)[N+](=O)[O-])CCCCCCCCC(=O)OC

Isomeric SMILES

CCCCCCC1=CC(=CN1C2=CC=C(C=C2)[N+](=O)[O-])CCCCCCCCC(=O)OC

InChI

InChI=1S/C26H38N2O4/c1-3-4-5-11-14-25-20-22(13-10-8-6-7-9-12-15-26(29)32-2)21-27(25)23-16-18-24(19-17-23)28(30)31/h16-21H,3-15H2,1-2H3