(E)-5-[[4-(4-aminocarbonyl-5-ethyl-pyrazol-1-yl)phenyl]amino]-5-oxidanylidene-pent-2-enoic acid

Systemtic Name: (E)-5-[[4-(4-aminocarbonyl-5-ethyl-pyrazol-1-yl)phenyl]amino]-5-oxidanylidene-pent-2-enoic acid Openeye Name: (E)-5-[4-(4-carbamoyl-5-ethyl-pyrazol-1-yl)anilino]-5-oxo-pent-2-enoic acid CAS Name: (E)-5-[4-(4-carbamoyl-5-ethyl-1-pyrazolyl)anilino]-5-oxo-2-pentenoic acid IUPAC Name: (E)-5-[4-(4-carbamoyl-5-ethylpyrazol-1-yl)anilino]-5-oxopent-2-enoic acid Traditional Name: (E)-5-[4-(4-carbamoyl-5-ethyl-pyrazol-1-yl)anilino]-5-keto-pent-2-enoic acid Formula: C17H18N4O4 MolecularWeight: 342.34922

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=NN1C2=CC=C(C=C2)NC(=O)CC=CC(=O)O)C(=O)N

Isomeric SMILES

CCC1=C(C=NN1C2=CC=C(C=C2)NC(=O)C/C=C/C(=O)O)C(=O)N

InChI

InChI=1S/C17H18N4O4/c1-2-14-13(17(18)25)10-19-21(14)12-8-6-11(7-9-12)20-15(22)4-3-5-16(23)24/h3,5-10H,2,4H2,1H3,(H2,18,25)(H,20,22)(H,23,24)/b5-3+