4-[5-(5-chloranyl-8-methyl-2H-chromen-3-yl)-1H-pyrrol-2-yl]benzoic acid

Systemtic Name: 4-[5-(5-chloranyl-8-methyl-2H-chromen-3-yl)-1H-pyrrol-2-yl]benzoic acid Openeye Name: 4-[5-(5-chloro-8-methyl-2H-chromen-3-yl)-1H-pyrrol-2-yl]benzoic acid CAS Name: 4-[5-(5-chloro-8-methyl-2H-1-benzopyran-3-yl)-1H-pyrrol-2-yl]benzoic acid IUPAC Name: 4-[5-(5-chloro-8-methyl-2H-chromen-3-yl)-1H-pyrrol-2-yl]benzoic acid Traditional Name: 4-[5-(5-chloro-8-methyl-2H-chromen-3-yl)-1H-pyrrol-2-yl]benzoic acid Formula: C21H16ClNO3 MolecularWeight: 365.80964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)Cl)C=C(CO2)C3=CC=C(N3)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC1=C2C(=C(C=C1)Cl)C=C(CO2)C3=CC=C(N3)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C21H16ClNO3/c1-12-2-7-17(22)16-10-15(11-26-20(12)16)19-9-8-18(23-19)13-3-5-14(6-4-13)21(24)25/h2-10,23H,11H2,1H3,(H,24,25)