ethyl 4-[5-ethyl-1-(4-nitrophenyl)carbonyl-pyrrol-3-yl]butanoate

Systemtic Name: ethyl 4-[5-ethyl-1-(4-nitrophenyl)carbonyl-pyrrol-3-yl]butanoate Openeye Name: ethyl 4-[5-ethyl-1-(4-nitrobenzoyl)pyrrol-3-yl]butanoate CAS Name: 4-[5-ethyl-1-[(4-nitrophenyl)-oxomethyl]-3-pyrrolyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-[5-ethyl-1-(4-nitrobenzoyl)pyrrol-3-yl]butanoate Traditional Name: 4-[5-ethyl-1-(4-nitrobenzoyl)pyrrol-3-yl]butyric acid ethyl ester Formula: C19H22N2O5 MolecularWeight: 358.38838

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CN1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])CCCC(=O)OCC

Isomeric SMILES

CCC1=CC(=CN1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])CCCC(=O)OCC

InChI

InChI=1S/C19H22N2O5/c1-3-16-12-14(6-5-7-18(22)26-4-2)13-20(16)19(23)15-8-10-17(11-9-15)21(24)25/h8-13H,3-7H2,1-2H3