2-[4-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]-6-bromanyl-quinoline-4-carboxylic acid

Systemtic Name: 2-[4-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]-6-bromanyl-quinoline-4-carboxylic acid Openeye Name: 2-[4-(2-amino-2-oxo-ethoxy)phenyl]-6-bromo-quinoline-4-carboxylic acid CAS Name: 2-[4-(2-amino-2-oxoethoxy)phenyl]-6-bromo-4-quinolinecarboxylic acid IUPAC Name: 2-[4-(2-amino-2-oxoethoxy)phenyl]-6-bromoquinoline-4-carboxylic acid Traditional Name: 2-[4-(2-amino-2-keto-ethoxy)phenyl]-6-bromo-cinchoninic acid Formula: C18H13BrN2O4 MolecularWeight: 401.21082

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)O)OCC(=O)N

Isomeric SMILES

C1=CC(=CC=C1C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)O)OCC(=O)N

InChI

InChI=1S/C18H13BrN2O4/c19-11-3-6-15-13(7-11)14(18(23)24)8-16(21-15)10-1-4-12(5-2-10)25-9-17(20)22/h1-8H,9H2,(H2,20,22)(H,23,24)