ethyl 3-[3-chloranyl-2,5-bis(oxidanylidene)-4-(1-phenylethylamino)pyrrol-1-yl]benzoate

Systemtic Name: ethyl 3-[3-chloranyl-2,5-bis(oxidanylidene)-4-(1-phenylethylamino)pyrrol-1-yl]benzoate Openeye Name: ethyl 3-[3-chloro-2,5-dioxo-4-(1-phenylethylamino)pyrrol-1-yl]benzoate CAS Name: 3-[3-chloro-2,5-dioxo-4-(1-phenylethylamino)-1-pyrrolyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[3-chloro-2,5-dioxo-4-(1-phenylethylamino)pyrrol-1-yl]benzoate Traditional Name: 3-[3-chloro-2,5-diketo-4-(1-phenylethylamino)-3-pyrrolin-1-yl]benzoic acid ethyl ester Formula: C21H19ClN2O4 MolecularWeight: 398.83956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)N2C(=O)C(=C(C2=O)Cl)NC(C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)N2C(=O)C(=C(C2=O)Cl)NC(C)C3=CC=CC=C3

InChI

InChI=1S/C21H19ClN2O4/c1-3-28-21(27)15-10-7-11-16(12-15)24-19(25)17(22)18(20(24)26)23-13(2)14-8-5-4-6-9-14/h4-13,23H,3H2,1-2H3