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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17ClN2O6/c1-2-9-30-21(29)13-6-4-8-15(11-13)24-18(25)16(22)17(19(24)26)23-14-7-3-5-12(10-14)20(27)28/h3-8,10-11,23H,2,9H2,1H3,(H,27,28)/p-1