(E)-4-[[2-(4-ethoxycarbonyl-3,5-dimethyl-pyrazol-1-yl)pyridin-3-yl]amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[[2-(4-ethoxycarbonyl-3,5-dimethyl-pyrazol-1-yl)pyridin-3-yl]amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[[2-(4-ethoxycarbonyl-3,5-dimethyl-pyrazol-1-yl)-3-pyridyl]amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[[2-(4-ethoxycarbonyl-3,5-dimethyl-1-pyrazolyl)-3-pyridinyl]amino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[[2-(4-ethoxycarbonyl-3,5-dimethylpyrazol-1-yl)pyridin-3-yl]amino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[[2-(4-carbethoxy-3,5-dimethyl-pyrazol-1-yl)-3-pyridyl]amino]-4-keto-but-2-enoic acid Formula: C17H18N4O5 MolecularWeight: 358.34862

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1C)C2=C(C=CC=N2)NC(=O)C=CC(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1C)C2=C(C=CC=N2)NC(=O)/C=C/C(=O)O)C

InChI

InChI=1S/C17H18N4O5/c1-4-26-17(25)15-10(2)20-21(11(15)3)16-12(6-5-9-18-16)19-13(22)7-8-14(23)24/h5-9H,4H2,1-3H3,(H,19,22)(H,23,24)/b8-7+