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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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