(E)-3-[3-nitro-4-(1,3-thiazol-4-ylmethoxy)phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[3-nitro-4-(1,3-thiazol-4-ylmethoxy)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-nitro-4-(thiazol-4-ylmethoxy)phenyl]prop-2-enoic acid CAS Name: (E)-3-[3-nitro-4-(4-thiazolylmethoxy)phenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-nitro-4-(1,3-thiazol-4-ylmethoxy)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-nitro-4-(thiazol-4-ylmethoxy)phenyl]acrylic acid Formula: C13H10N2O5S MolecularWeight: 306.2939

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C=CC(=O)O)[N+](=O)[O-])OCC2=CSC=N2

Isomeric SMILES

C1=CC(=C(C=C1/C=C/C(=O)O)[N+](=O)[O-])OCC2=CSC=N2

InChI

InChI=1S/C13H10N2O5S/c16-13(17)4-2-9-1-3-12(11(5-9)15(18)19)20-6-10-7-21-8-14-10/h1-5,7-8H,6H2,(H,16,17)/b4-2+