5-chloranyl-2-[2-[2-oxidanylidene-2-[(3-pyrrol-1-ylphenyl)amino]ethoxy]ethanoylamino]benzoic acid

Systemtic Name: 5-chloranyl-2-[2-[2-oxidanylidene-2-[(3-pyrrol-1-ylphenyl)amino]ethoxy]ethanoylamino]benzoic acid Openeye Name: 5-chloro-2-[[2-[2-oxo-2-(3-pyrrol-1-ylanilino)ethoxy]acetyl]amino]benzoic acid CAS Name: 5-chloro-2-[[1-oxo-2-[2-oxo-2-[3-(1-pyrrolyl)anilino]ethoxy]ethyl]amino]benzoic acid IUPAC Name: 5-chloro-2-[[2-[2-oxo-2-(3-pyrrol-1-ylanilino)ethoxy]acetyl]amino]benzoic acid Traditional Name: 5-chloro-2-[[2-[2-keto-2-(3-pyrrol-1-ylanilino)ethoxy]acetyl]amino]benzoic acid Formula: C21H18ClN3O5 MolecularWeight: 427.83772

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)C2=CC(=CC=C2)NC(=O)COCC(=O)NC3=C(C=C(C=C3)Cl)C(=O)O

Isomeric SMILES

C1=CN(C=C1)C2=CC(=CC=C2)NC(=O)COCC(=O)NC3=C(C=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C21H18ClN3O5/c22-14-6-7-18(17(10-14)21(28)29)24-20(27)13-30-12-19(26)23-15-4-3-5-16(11-15)25-8-1-2-9-25/h1-11H,12-13H2,(H,23,26)(H,24,27)(H,28,29)