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

Systemtic Name: butyl 3-[3-chloranyl-2,5-bis(oxidanylidene)-4-(1-phenylethylamino)pyrrol-1-yl]benzoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C23H23ClN2O4 MolecularWeight: 426.89272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23ClN2O4/c1-3-4-13-30-23(29)17-11-8-12-18(14-17)26-21(27)19(24)20(22(26)28)25-15(2)16-9-6-5-7-10-16/h5-12,14-15,25H,3-4,13H2,1-2H3