6-bromanyl-2-(3-ethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: 6-bromanyl-2-(3-ethoxyphenyl)quinoline-4-carboxylate Openeye Name: 6-bromo-2-(3-ethoxyphenyl)quinoline-4-carboxylate CAS Name: 6-bromo-2-(3-ethoxyphenyl)-4-quinolinecarboxylate IUPAC Name: 6-bromo-2-(3-ethoxyphenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-2-m-phenetyl-cinchoninate Formula: C18H13BrNO3- MolecularWeight: 371.20472

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)[O-]

Isomeric SMILES

CCOC1=CC=CC(=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)[O-]

InChI

InChI=1S/C18H14BrNO3/c1-2-23-13-5-3-4-11(8-13)17-10-15(18(21)22)14-9-12(19)6-7-16(14)20-17/h3-10H,2H2,1H3,(H,21,22)/p-1