4-[(2-aminophenyl)methylamino]-8-azanyl-quinoline-3-carboxylic acid

Systemtic Name: 4-[(2-aminophenyl)methylamino]-8-azanyl-quinoline-3-carboxylic acid Openeye Name: 8-amino-4-[(2-aminophenyl)methylamino]quinoline-3-carboxylic acid CAS Name: 8-amino-4-[(2-aminophenyl)methylamino]-3-quinolinecarboxylic acid IUPAC Name: 8-amino-4-[(2-aminophenyl)methylamino]quinoline-3-carboxylic acid Traditional Name: 8-amino-4-[(2-aminobenzyl)amino]quinoline-3-carboxylic acid Formula: C17H16N4O2 MolecularWeight: 308.33454

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC2=C3C=CC=C(C3=NC=C2C(=O)O)N)N

Isomeric SMILES

C1=CC=C(C(=C1)CNC2=C3C=CC=C(C3=NC=C2C(=O)O)N)N

InChI

InChI=1S/C17H16N4O2/c18-13-6-2-1-4-10(13)8-20-15-11-5-3-7-14(19)16(11)21-9-12(15)17(22)23/h1-7,9H,8,18-19H2,(H,20,21)(H,22,23)