(E)-4-[(1-methylpyrazol-4-yl)methylamino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[(1-methylpyrazol-4-yl)methylamino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[(1-methylpyrazol-4-yl)methylamino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[(1-methyl-4-pyrazolyl)methylamino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[(1-methylpyrazol-4-yl)methylamino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-keto-4-[(1-methylpyrazol-4-yl)methylamino]but-2-enoic acid Formula: C9H11N3O3 MolecularWeight: 209.20194

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CNC(=O)C=CC(=O)O

Isomeric SMILES

CN1C=C(C=N1)CNC(=O)/C=C/C(=O)O

InChI

InChI=1S/C9H11N3O3/c1-12-6-7(5-11-12)4-10-8(13)2-3-9(14)15/h2-3,5-6H,4H2,1H3,(H,10,13)(H,14,15)/b3-2+