3-[3-(1H-benzimidazol-2-yl)-6-chloranyl-7-oxidanyl-4-oxidanylidene-chromen-2-yl]propanoic acid

Systemtic Name: 3-[3-(1H-benzimidazol-2-yl)-6-chloranyl-7-oxidanyl-4-oxidanylidene-chromen-2-yl]propanoic acid Openeye Name: 3-[3-(1H-benzimidazol-2-yl)-6-chloro-7-hydroxy-4-oxo-chromen-2-yl]propanoic acid CAS Name: 3-[3-(1H-benzimidazol-2-yl)-6-chloro-7-hydroxy-4-oxo-1-benzopyran-2-yl]propanoic acid IUPAC Name: 3-[3-(1H-benzimidazol-2-yl)-6-chloro-7-hydroxy-4-oxochromen-2-yl]propanoic acid Traditional Name: 3-[3-(1H-benzimidazol-2-yl)-6-chloro-7-hydroxy-4-keto-chromen-2-yl]propionic acid Formula: C19H13ClN2O5 MolecularWeight: 384.76992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)C3=C(OC4=CC(=C(C=C4C3=O)Cl)O)CCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)C3=C(OC4=CC(=C(C=C4C3=O)Cl)O)CCC(=O)O

InChI

InChI=1S/C19H13ClN2O5/c20-10-7-9-15(8-13(10)23)27-14(5-6-16(24)25)17(18(9)26)19-21-11-3-1-2-4-12(11)22-19/h1-4,7-8,23H,5-6H2,(H,21,22)(H,24,25)