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

Systemtic Name: 3-[[1-(3-butoxycarbonylphenyl)-4-chloranyl-2,5-bis(oxidanylidene)pyrrol-3-yl]amino]benzoate Openeye Name: 3-[[1-(3-butoxycarbonylphenyl)-4-chloro-2,5-dioxo-pyrrol-3-yl]amino]benzoate CAS Name: 3-[[1-[3-[butoxy(oxo)methyl]phenyl]-4-chloro-2,5-dioxo-3-pyrrolyl]amino]benzoate IUPAC Name: 3-[[1-(3-butoxycarbonylphenyl)-4-chloro-2,5-dioxopyrrol-3-yl]amino]benzoate Traditional Name: 3-[[1-(3-butoxycarbonylphenyl)-4-chloro-2,5-diketo-3-pyrrolin-3-yl]amino]benzoate Formula: C22H18ClN2O6- MolecularWeight: 441.84112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC(=CC=C1)N2C(=O)C(=C(C2=O)Cl)NC3=CC=CC(=C3)C(=O)[O-]

Isomeric SMILES

CCCCOC(=O)C1=CC(=CC=C1)N2C(=O)C(=C(C2=O)Cl)NC3=CC=CC(=C3)C(=O)[O-]

InChI

InChI=1S/C22H19ClN2O6/c1-2-3-10-31-22(30)14-7-5-9-16(12-14)25-19(26)17(23)18(20(25)27)24-15-8-4-6-13(11-15)21(28)29/h4-9,11-12,24H,2-3,10H2,1H3,(H,28,29)/p-1