4-azanyl-8-butyl-7-chloranyl-cinnoline-3-carboxylic acid

Systemtic Name: 4-azanyl-8-butyl-7-chloranyl-cinnoline-3-carboxylic acid Openeye Name: 4-amino-8-butyl-7-chloro-cinnoline-3-carboxylic acid CAS Name: 4-amino-8-butyl-7-chloro-3-cinnolinecarboxylic acid IUPAC Name: 4-amino-8-butyl-7-chlorocinnoline-3-carboxylic acid Traditional Name: 4-amino-8-butyl-7-chloro-cinnoline-3-carboxylic acid Formula: C13H14ClN3O2 MolecularWeight: 279.72216

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC2=C1N=NC(=C2N)C(=O)O)Cl

Isomeric SMILES

CCCCC1=C(C=CC2=C1N=NC(=C2N)C(=O)O)Cl

InChI

InChI=1S/C13H14ClN3O2/c1-2-3-4-7-9(14)6-5-8-10(15)12(13(18)19)17-16-11(7)8/h5-6H,2-4H2,1H3,(H2,15,16)(H,18,19)