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

Systemtic Name: methyl 3-[[4-chloranyl-2,5-bis(oxidanylidene)-1-phenethyl-pyrrol-3-yl]amino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H17ClN2O4 MolecularWeight: 384.81298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClN2O4/c1-27-20(26)14-8-5-9-15(12-14)22-17-16(21)18(24)23(19(17)25)11-10-13-6-3-2-4-7-13/h2-9,12,22H,10-11H2,1H3