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

Systemtic Name: 2-[[[2-(3-methylbutyl)pyrazol-3-yl]amino]methylidene]propanedioic acid Openeye Name: 2-[[(2-isopentylpyrazol-3-yl)amino]methylene]propanedioic acid CAS Name: 2-[[[2-(3-methylbutyl)-3-pyrazolyl]amino]methylidene]propanedioic acid IUPAC Name: 2-[[[2-(3-methylbutyl)pyrazol-3-yl]amino]methylidene]propanedioic acid Traditional Name: 2-[[(2-isoamylpyrazol-3-yl)amino]methylene]malonic acid Formula: C12H17N3O4 MolecularWeight: 267.28108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=CC=N1)NC=C(C(=O)O)C(=O)O

Isomeric SMILES

CC(C)CCN1C(=CC=N1)NC=C(C(=O)O)C(=O)O

InChI

InChI=1S/C12H17N3O4/c1-8(2)4-6-15-10(3-5-14-15)13-7-9(11(16)17)12(18)19/h3,5,7-8,13H,4,6H2,1-2H3,(H,16,17)(H,18,19)