(E)-3-[2,4-diacetamido-5-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[2,4-diacetamido-5-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[2,4-diacetamido-5-[(E)-3-hydroxy-3-oxo-prop-1-enyl]phenyl]prop-2-enoic acid CAS Name: (E)-3-[2,4-diacetamido-5-[(E)-3-hydroxy-3-oxoprop-1-enyl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[2,4-diacetamido-5-[(E)-3-hydroxy-3-oxoprop-1-enyl]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[2,4-diacetamido-5-[(E)-3-hydroxy-3-keto-prop-1-enyl]phenyl]acrylic acid Formula: C16H16N2O6 MolecularWeight: 332.30804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1C=CC(=O)O)C=CC(=O)O)NC(=O)C

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1/C=C/C(=O)O)/C=C/C(=O)O)NC(=O)C

InChI

InChI=1S/C16H16N2O6/c1-9(19)17-13-8-14(18-10(2)20)12(4-6-16(23)24)7-11(13)3-5-15(21)22/h3-8H,1-2H3,(H,17,19)(H,18,20)(H,21,22)(H,23,24)/b5-3+,6-4+