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

Systemtic Name: propyl 4-[3-chloranyl-2,5-bis(oxidanylidene)-4-(1-phenylethylamino)pyrrol-1-yl]benzoate Openeye Name: propyl 4-[3-chloro-2,5-dioxo-4-(1-phenylethylamino)pyrrol-1-yl]benzoate CAS Name: 4-[3-chloro-2,5-dioxo-4-(1-phenylethylamino)-1-pyrrolyl]benzoic acid propyl ester IUPAC Name: propyl 4-[3-chloro-2,5-dioxo-4-(1-phenylethylamino)pyrrol-1-yl]benzoate Traditional Name: 4-[3-chloro-2,5-diketo-4-(1-phenylethylamino)-3-pyrrolin-1-yl]benzoic acid propyl ester Formula: C22H21ClN2O4 MolecularWeight: 412.86614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN2O4/c1-3-13-29-22(28)16-9-11-17(12-10-16)25-20(26)18(23)19(21(25)27)24-14(2)15-7-5-4-6-8-15/h4-12,14,24H,3,13H2,1-2H3