3-[(6Z)-6-[[(1-methylpyrazol-3-yl)amino]methylidene]-5-oxidanylidene-cyclohexa-1,3-dien-1-yl]propanoic acid

Systemtic Name: 3-[(6Z)-6-[[(1-methylpyrazol-3-yl)amino]methylidene]-5-oxidanylidene-cyclohexa-1,3-dien-1-yl]propanoic acid Openeye Name: 3-[(6Z)-6-[[(1-methylpyrazol-3-yl)amino]methylene]-5-oxo-cyclohexa-1,3-dien-1-yl]propanoic acid CAS Name: 3-[(6Z)-6-[[(1-methyl-3-pyrazolyl)amino]methylidene]-5-oxo-1-cyclohexa-1,3-dienyl]propanoic acid IUPAC Name: 3-[(6Z)-6-[[(1-methylpyrazol-3-yl)amino]methylidene]-5-oxocyclohexa-1,3-dien-1-yl]propanoic acid Traditional Name: 3-[(6Z)-5-keto-6-[[(1-methylpyrazol-3-yl)amino]methylene]cyclohexa-1,3-dien-1-yl]propionic acid Formula: C14H15N3O3 MolecularWeight: 273.2872

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=N1)NC=C2C(=O)C=CC=C2CCC(=O)O

Isomeric SMILES

CN1C=CC(=N1)N/C=C/2\C(=O)C=CC=C2CCC(=O)O

InChI

InChI=1S/C14H15N3O3/c1-17-8-7-13(16-17)15-9-11-10(5-6-14(19)20)3-2-4-12(11)18/h2-4,7-9H,5-6H2,1H3,(H,15,16)(H,19,20)/b11-9-