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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN(C=C1C(=O)C2=CC(=CC=C2)[N+](=O)[O-])CCCC(=O)OCC

Isomeric SMILES

CCC1=CN(C=C1C(=O)C2=CC(=CC=C2)[N+](=O)[O-])CCCC(=O)OCC

InChI

InChI=1S/C19H22N2O5/c1-3-14-12-20(10-6-9-18(22)26-4-2)13-17(14)19(23)15-7-5-8-16(11-15)21(24)25/h5,7-8,11-13H,3-4,6,9-10H2,1-2H3