(E)-3-[1,3-dimethyl-5-(3-oxidanylidenepiperazin-1-yl)pyrazol-4-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[1,3-dimethyl-5-(3-oxidanylidenepiperazin-1-yl)pyrazol-4-yl]prop-2-enoic acid Openeye Name: (E)-3-[1,3-dimethyl-5-(3-oxopiperazin-1-yl)pyrazol-4-yl]prop-2-enoic acid CAS Name: (E)-3-[1,3-dimethyl-5-(3-oxo-1-piperazinyl)-4-pyrazolyl]-2-propenoic acid IUPAC Name: (E)-3-[1,3-dimethyl-5-(3-oxopiperazin-1-yl)pyrazol-4-yl]prop-2-enoic acid Traditional Name: (E)-3-[5-(3-ketopiperazino)-1,3-dimethyl-pyrazol-4-yl]acrylic acid Formula: C12H16N4O3 MolecularWeight: 264.28044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)O)N2CCNC(=O)C2)C

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)O)N2CCNC(=O)C2)C

InChI

InChI=1S/C12H16N4O3/c1-8-9(3-4-11(18)19)12(15(2)14-8)16-6-5-13-10(17)7-16/h3-4H,5-7H2,1-2H3,(H,13,17)(H,18,19)/b4-3+