3-[5-[[(E)-4-ethoxy-4-oxidanylidene-but-2-en-2-yl]carbamoyl]pyrazol-1-yl]propanoic acid

Systemtic Name: 3-[5-[[(E)-4-ethoxy-4-oxidanylidene-but-2-en-2-yl]carbamoyl]pyrazol-1-yl]propanoic acid Openeye Name: 3-[5-[[(E)-3-ethoxy-1-methyl-3-oxo-prop-1-enyl]carbamoyl]pyrazol-1-yl]propanoic acid CAS Name: 3-[5-[[[(E)-4-ethoxy-4-oxobut-2-en-2-yl]amino]-oxomethyl]-1-pyrazolyl]propanoic acid IUPAC Name: 3-[5-[[(E)-4-ethoxy-4-oxobut-2-en-2-yl]carbamoyl]pyrazol-1-yl]propanoic acid Traditional Name: 3-[5-[[(E)-3-ethoxy-3-keto-1-methyl-prop-1-enyl]carbamoyl]pyrazol-1-yl]propionic acid Formula: C13H17N3O5 MolecularWeight: 295.29118

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C)NC(=O)C1=CC=NN1CCC(=O)O

Isomeric SMILES

CCOC(=O)/C=C(\C)/NC(=O)C1=CC=NN1CCC(=O)O

InChI

InChI=1S/C13H17N3O5/c1-3-21-12(19)8-9(2)15-13(20)10-4-6-14-16(10)7-5-11(17)18/h4,6,8H,3,5,7H2,1-2H3,(H,15,20)(H,17,18)/b9-8+