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

Systemtic Name: 3-[[4-chloranyl-1-(4-ethoxycarbonylphenyl)-2,5-bis(oxidanylidene)pyrrol-3-yl]amino]benzoate Openeye Name: 3-[[4-chloro-1-(4-ethoxycarbonylphenyl)-2,5-dioxo-pyrrol-3-yl]amino]benzoate CAS Name: 3-[[4-chloro-1-(4-ethoxycarbonylphenyl)-2,5-dioxo-3-pyrrolyl]amino]benzoate IUPAC Name: 3-[[4-chloro-1-(4-ethoxycarbonylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate Traditional Name: 3-[[1-(4-carbethoxyphenyl)-4-chloro-2,5-diketo-3-pyrrolin-3-yl]amino]benzoate Formula: C20H14ClN2O6- MolecularWeight: 413.78796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15ClN2O6/c1-2-29-20(28)11-6-8-14(9-7-11)23-17(24)15(21)16(18(23)25)22-13-5-3-4-12(10-13)19(26)27/h3-10,22H,2H2,1H3,(H,26,27)/p-1