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

Systemtic Name: ethyl 4-[3-tert-butyl-4-(3-nitrophenyl)carbonyl-pyrrol-1-yl]butanoate Openeye Name: ethyl 4-[3-tert-butyl-4-(3-nitrobenzoyl)pyrrol-1-yl]butanoate CAS Name: 4-[3-tert-butyl-4-[(3-nitrophenyl)-oxomethyl]-1-pyrrolyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-[3-tert-butyl-4-(3-nitrobenzoyl)pyrrol-1-yl]butanoate Traditional Name: 4-[3-tert-butyl-4-(3-nitrobenzoyl)pyrrol-1-yl]butyric acid ethyl ester Formula: C21H26N2O5 MolecularWeight: 386.44154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN1C=C(C(=C1)C(C)(C)C)C(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCCN1C=C(C(=C1)C(C)(C)C)C(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H26N2O5/c1-5-28-19(24)10-7-11-22-13-17(18(14-22)21(2,3)4)20(25)15-8-6-9-16(12-15)23(26)27/h6,8-9,12-14H,5,7,10-11H2,1-4H3