5-[[(E)-4-ethoxy-4-oxidanylidene-but-2-en-2-yl]carbamoyl]-1-methyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-[[(E)-4-ethoxy-4-oxidanylidene-but-2-en-2-yl]carbamoyl]-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 5-[[(E)-3-ethoxy-1-methyl-3-oxo-prop-1-enyl]carbamoyl]-1-methyl-pyrazole-4-carboxylic acid CAS Name: 5-[[[(E)-4-ethoxy-4-oxobut-2-en-2-yl]amino]-oxomethyl]-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 5-[[(E)-4-ethoxy-4-oxobut-2-en-2-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid Traditional Name: 5-[[(E)-3-ethoxy-3-keto-1-methyl-prop-1-enyl]carbamoyl]-1-methyl-pyrazole-4-carboxylic acid Formula: C12H15N3O5 MolecularWeight: 281.2646

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C)NC(=O)C1=C(C=NN1C)C(=O)O

Isomeric SMILES

CCOC(=O)/C=C(\C)/NC(=O)C1=C(C=NN1C)C(=O)O

InChI

InChI=1S/C12H15N3O5/c1-4-20-9(16)5-7(2)14-11(17)10-8(12(18)19)6-13-15(10)3/h5-6H,4H2,1-3H3,(H,14,17)(H,18,19)/b7-5+