(E)-3-[4-(3-azanyl-3-oxidanylidene-propoxy)phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-(3-azanyl-3-oxidanylidene-propoxy)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-(3-amino-3-oxo-propoxy)phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-(3-amino-3-oxopropoxy)phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-(3-amino-3-oxopropoxy)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-(3-amino-3-keto-propoxy)phenyl]acrylic acid Formula: C12H13NO4 MolecularWeight: 235.23592

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)O)OCCC(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO4/c13-11(14)7-8-17-10-4-1-9(2-5-10)3-6-12(15)16/h1-6H,7-8H2,(H2,13,14)(H,15,16)/b6-3+