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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1N2C(=O)C(=C(C2=O)Cl)NC(C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1N2C(=O)C(=C(C2=O)Cl)NC(C)C3=CC=CC=C3

InChI

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