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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC2=C(C(=O)N(C2=O)CC3=CC=CC=C3)Cl

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC2=C(C(=O)N(C2=O)CC3=CC=CC=C3)Cl

InChI

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