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

Systemtic Name: ethyl 4-[[4-chloranyl-2,5-bis(oxidanylidene)-1-phenethyl-pyrrol-3-yl]amino]benzoate Openeye Name: ethyl 4-[(4-chloro-2,5-dioxo-1-phenethyl-pyrrol-3-yl)amino]benzoate CAS Name: 4-[(4-chloro-2,5-dioxo-1-phenethyl-3-pyrrolyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-chloro-2,5-dioxo-1-phenethylpyrrol-3-yl)amino]benzoate Traditional Name: 4-[(4-chloro-2,5-diketo-1-phenethyl-3-pyrrolin-3-yl)amino]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=C(C=C1)NC2=C(C(=O)N(C2=O)CCC3=CC=CC=C3)Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=C(C(=O)N(C2=O)CCC3=CC=CC=C3)Cl

InChI

InChI=1S/C21H19ClN2O4/c1-2-28-21(27)15-8-10-16(11-9-15)23-18-17(22)19(25)24(20(18)26)13-12-14-6-4-3-5-7-14/h3-11,23H,2,12-13H2,1H3