(E)-4-oxidanylidene-4-[[3-(propan-2-ylcarbamoyl)phenyl]amino]but-2-enoic acid

Systemtic Name: (E)-4-oxidanylidene-4-[[3-(propan-2-ylcarbamoyl)phenyl]amino]but-2-enoic acid Openeye Name: (E)-4-[3-(isopropylcarbamoyl)anilino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-oxo-4-[3-[oxo-(propan-2-ylamino)methyl]anilino]-2-butenoic acid IUPAC Name: (E)-4-oxo-4-[3-(propan-2-ylcarbamoyl)anilino]but-2-enoic acid Traditional Name: (E)-4-[3-(isopropylcarbamoyl)anilino]-4-keto-but-2-enoic acid Formula: C14H16N2O4 MolecularWeight: 276.28784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CC(=CC=C1)NC(=O)C=CC(=O)O

Isomeric SMILES

CC(C)NC(=O)C1=CC(=CC=C1)NC(=O)/C=C/C(=O)O

InChI

InChI=1S/C14H16N2O4/c1-9(2)15-14(20)10-4-3-5-11(8-10)16-12(17)6-7-13(18)19/h3-9H,1-2H3,(H,15,20)(H,16,17)(H,18,19)/b7-6+