(E)-5-[[4-(2-methyl-4-oxidanylidene-1H-pyrimidin-6-yl)phenyl]amino]-5-oxidanylidene-pent-2-enoic acid

Systemtic Name: (E)-5-[[4-(2-methyl-4-oxidanylidene-1H-pyrimidin-6-yl)phenyl]amino]-5-oxidanylidene-pent-2-enoic acid Openeye Name: (E)-5-[4-(2-methyl-4-oxo-1H-pyrimidin-6-yl)anilino]-5-oxo-pent-2-enoic acid CAS Name: (E)-5-[4-(2-methyl-4-oxo-1H-pyrimidin-6-yl)anilino]-5-oxo-2-pentenoic acid IUPAC Name: (E)-5-[4-(2-methyl-4-oxo-1H-pyrimidin-6-yl)anilino]-5-oxopent-2-enoic acid Traditional Name: (E)-5-keto-5-[4-(4-keto-2-methyl-1H-pyrimidin-6-yl)anilino]pent-2-enoic acid Formula: C16H15N3O4 MolecularWeight: 313.308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C=C(N1)C2=CC=C(C=C2)NC(=O)CC=CC(=O)O

Isomeric SMILES

CC1=NC(=O)C=C(N1)C2=CC=C(C=C2)NC(=O)C/C=C/C(=O)O

InChI

InChI=1S/C16H15N3O4/c1-10-17-13(9-15(21)18-10)11-5-7-12(8-6-11)19-14(20)3-2-4-16(22)23/h2,4-9H,3H2,1H3,(H,19,20)(H,22,23)(H,17,18,21)/b4-2+