(E)-4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl-methyl-amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl-methyl-amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl-methyl-amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[(1-ethyl-5-methyl-4-pyrazolyl)methyl-methylamino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylamino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl-methyl-amino]-4-keto-but-2-enoic acid Formula: C12H17N3O3 MolecularWeight: 251.28168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCN1C(=C(C=N1)CN(C)C(=O)/C=C/C(=O)O)C

InChI

InChI=1S/C12H17N3O3/c1-4-15-9(2)10(7-13-15)8-14(3)11(16)5-6-12(17)18/h5-7H,4,8H2,1-3H3,(H,17,18)/b6-5+