2-[[(2-pentylpyrazol-3-yl)amino]methylidene]propanedioic acid

Systemtic Name: 2-[[(2-pentylpyrazol-3-yl)amino]methylidene]propanedioic acid Openeye Name: 2-[[(2-pentylpyrazol-3-yl)amino]methylene]propanedioic acid CAS Name: 2-[[(2-pentyl-3-pyrazolyl)amino]methylidene]propanedioic acid IUPAC Name: 2-[[(2-pentylpyrazol-3-yl)amino]methylidene]propanedioic acid Traditional Name: 2-[[(2-amylpyrazol-3-yl)amino]methylene]malonic acid Formula: C12H17N3O4 MolecularWeight: 267.28108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=CC=N1)NC=C(C(=O)O)C(=O)O

Isomeric SMILES

CCCCCN1C(=CC=N1)NC=C(C(=O)O)C(=O)O

InChI

InChI=1S/C12H17N3O4/c1-2-3-4-7-15-10(5-6-14-15)13-8-9(11(16)17)12(18)19/h5-6,8,13H,2-4,7H2,1H3,(H,16,17)(H,18,19)