2-[3-[[(E)-4-ethoxy-4-oxidanylidene-but-2-en-2-yl]amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid

Systemtic Name: 2-[3-[[(E)-4-ethoxy-4-oxidanylidene-but-2-en-2-yl]amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-[[(E)-3-ethoxy-1-methyl-3-oxo-prop-1-enyl]amino]-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-[[(E)-4-ethoxy-4-oxobut-2-en-2-yl]amino]-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-[[(E)-4-ethoxy-4-oxobut-2-en-2-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-[[(E)-3-ethoxy-3-keto-1-methyl-prop-1-enyl]amino]-3-keto-propyl]pyrazole-3-carboxylic acid Formula: C13H17N3O5 MolecularWeight: 295.29118

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C)NC(=O)CCN1C(=CC=N1)C(=O)O

Isomeric SMILES

CCOC(=O)/C=C(\C)/NC(=O)CCN1C(=CC=N1)C(=O)O

InChI

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