2-[4-(2-chloranylethanoylamino)phenyl]quinoline-4-carboxylic acid

Systemtic Name: 2-[4-(2-chloranylethanoylamino)phenyl]quinoline-4-carboxylic acid Openeye Name: 2-[4-[(2-chloroacetyl)amino]phenyl]quinoline-4-carboxylic acid CAS Name: 2-[4-[(2-chloro-1-oxoethyl)amino]phenyl]-4-quinolinecarboxylic acid IUPAC Name: 2-[4-[(2-chloroacetyl)amino]phenyl]quinoline-4-carboxylic acid Traditional Name: 2-[4-[(2-chloroacetyl)amino]phenyl]cinchoninic acid Formula: C18H13ClN2O3 MolecularWeight: 340.76042

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)NC(=O)CCl)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)NC(=O)CCl)C(=O)O

InChI

InChI=1S/C18H13ClN2O3/c19-10-17(22)20-12-7-5-11(6-8-12)16-9-14(18(23)24)13-3-1-2-4-15(13)21-16/h1-9H,10H2,(H,20,22)(H,23,24)