2-[5-(3-bromophenyl)furan-2-yl]-6-chloranyl-quinoline-4-carboxylate

Systemtic Name: 2-[5-(3-bromophenyl)furan-2-yl]-6-chloranyl-quinoline-4-carboxylate Openeye Name: 2-[5-(3-bromophenyl)-2-furyl]-6-chloro-quinoline-4-carboxylate CAS Name: 2-[5-(3-bromophenyl)-2-furanyl]-6-chloro-4-quinolinecarboxylate IUPAC Name: 2-[5-(3-bromophenyl)furan-2-yl]-6-chloroquinoline-4-carboxylate Traditional Name: 2-[5-(3-bromophenyl)-2-furyl]-6-chloro-cinchoninate Formula: C20H10BrClNO3- MolecularWeight: 427.6553

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C2=CC=C(O2)C3=NC4=C(C=C(C=C4)Cl)C(=C3)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)Br)C2=CC=C(O2)C3=NC4=C(C=C(C=C4)Cl)C(=C3)C(=O)[O-]

InChI

InChI=1S/C20H11BrClNO3/c21-12-3-1-2-11(8-12)18-6-7-19(26-18)17-10-15(20(24)25)14-9-13(22)4-5-16(14)23-17/h1-10H,(H,24,25)/p-1