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

Systemtic Name: ethyl 4-[3-(3-nitrophenyl)carbonyl-4-propyl-pyrrol-1-yl]butanoate Openeye Name: ethyl 4-[3-(3-nitrobenzoyl)-4-propyl-pyrrol-1-yl]butanoate CAS Name: 4-[3-[(3-nitrophenyl)-oxomethyl]-4-propyl-1-pyrrolyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-[3-(3-nitrobenzoyl)-4-propylpyrrol-1-yl]butanoate Traditional Name: 4-[3-(3-nitrobenzoyl)-4-propyl-pyrrol-1-yl]butyric acid ethyl ester Formula: C20H24N2O5 MolecularWeight: 372.41496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CN(C=C1C(=O)C2=CC(=CC=C2)[N+](=O)[O-])CCCC(=O)OCC

Isomeric SMILES

CCCC1=CN(C=C1C(=O)C2=CC(=CC=C2)[N+](=O)[O-])CCCC(=O)OCC

InChI

InChI=1S/C20H24N2O5/c1-3-7-16-13-21(11-6-10-19(23)27-4-2)14-18(16)20(24)15-8-5-9-17(12-15)22(25)26/h5,8-9,12-14H,3-4,6-7,10-11H2,1-2H3