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

Systemtic Name: (E)-3-[4-acetamido-2-azanyl-5-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-acetamido-2-amino-5-[(E)-3-hydroxy-3-oxo-prop-1-enyl]phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-acetamido-2-amino-5-[(E)-3-hydroxy-3-oxoprop-1-enyl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-acetamido-2-amino-5-[(E)-3-hydroxy-3-oxoprop-1-enyl]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-acetamido-2-amino-5-[(E)-3-hydroxy-3-keto-prop-1-enyl]phenyl]acrylic acid Formula: C14H14N2O5 MolecularWeight: 290.27136

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C(=C1)N)C=CC(=O)O)C=CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O5/c1-8(17)16-12-7-11(15)9(2-4-13(18)19)6-10(12)3-5-14(20)21/h2-7H,15H2,1H3,(H,16,17)(H,18,19)(H,20,21)/b4-2+,5-3+