1-[2-oxidanylidene-2-(propylamino)ethyl]benzotriazole-5-carboxylic acid

Systemtic Name: 1-[2-oxidanylidene-2-(propylamino)ethyl]benzotriazole-5-carboxylic acid Openeye Name: 1-[2-oxo-2-(propylamino)ethyl]benzotriazole-5-carboxylic acid CAS Name: 1-[2-oxo-2-(propylamino)ethyl]-5-benzotriazolecarboxylic acid IUPAC Name: 1-[2-oxo-2-(propylamino)ethyl]benzotriazole-5-carboxylic acid Traditional Name: 1-[2-keto-2-(propylamino)ethyl]benzotriazole-5-carboxylic acid Formula: C12H14N4O3 MolecularWeight: 262.26456

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CN1C2=C(C=C(C=C2)C(=O)O)N=N1

Isomeric SMILES

CCCNC(=O)CN1C2=C(C=C(C=C2)C(=O)O)N=N1

InChI

InChI=1S/C12H14N4O3/c1-2-5-13-11(17)7-16-10-4-3-8(12(18)19)6-9(10)14-15-16/h3-4,6H,2,5,7H2,1H3,(H,13,17)(H,18,19)