(E)-4-[(1,3-dimethylpyrazol-4-yl)methylamino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[(1,3-dimethylpyrazol-4-yl)methylamino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[(1,3-dimethylpyrazol-4-yl)methylamino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[(1,3-dimethyl-4-pyrazolyl)methylamino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[(1,3-dimethylpyrazol-4-yl)methylamino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[(1,3-dimethylpyrazol-4-yl)methylamino]-4-keto-but-2-enoic acid Formula: C10H13N3O3 MolecularWeight: 223.22852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1CNC(=O)C=CC(=O)O)C

Isomeric SMILES

CC1=NN(C=C1CNC(=O)/C=C/C(=O)O)C

InChI

InChI=1S/C10H13N3O3/c1-7-8(6-13(2)12-7)5-11-9(14)3-4-10(15)16/h3-4,6H,5H2,1-2H3,(H,11,14)(H,15,16)/b4-3+