1-[(2-bromophenyl)amino]isoquinoline-3-carboxylic acid

Systemtic Name: 1-[(2-bromophenyl)amino]isoquinoline-3-carboxylic acid Openeye Name: 1-(2-bromoanilino)isoquinoline-3-carboxylic acid CAS Name: 1-(2-bromoanilino)-3-isoquinolinecarboxylic acid IUPAC Name: 1-(2-bromoanilino)isoquinoline-3-carboxylic acid Traditional Name: 1-(2-bromoanilino)isoquinoline-3-carboxylic acid Formula: C16H11BrN2O2 MolecularWeight: 343.17474

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(N=C2NC3=CC=CC=C3Br)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(N=C2NC3=CC=CC=C3Br)C(=O)O

InChI

InChI=1S/C16H11BrN2O2/c17-12-7-3-4-8-13(12)18-15-11-6-2-1-5-10(11)9-14(19-15)16(20)21/h1-9H,(H,18,19)(H,20,21)