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

Systemtic Name: 4-[[4-chloranyl-2,5-bis(oxidanylidene)-1-(4-propan-2-yloxycarbonylphenyl)pyrrol-3-yl]amino]benzoate Openeye Name: 4-[[4-chloro-1-(4-isopropoxycarbonylphenyl)-2,5-dioxo-pyrrol-3-yl]amino]benzoate CAS Name: 4-[[4-chloro-2,5-dioxo-1-[4-[oxo(propan-2-yloxy)methyl]phenyl]-3-pyrrolyl]amino]benzoate IUPAC Name: 4-[[4-chloro-2,5-dioxo-1-(4-propan-2-yloxycarbonylphenyl)pyrrol-3-yl]amino]benzoate Traditional Name: 4-[[4-chloro-1-(4-isopropoxycarbonylphenyl)-2,5-diketo-3-pyrrolin-3-yl]amino]benzoate Formula: C21H16ClN2O6- MolecularWeight: 427.81454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17ClN2O6/c1-11(2)30-21(29)13-5-9-15(10-6-13)24-18(25)16(22)17(19(24)26)23-14-7-3-12(4-8-14)20(27)28/h3-11,23H,1-2H3,(H,27,28)/p-1