(E)-3-[5-nitro-2-(1,2,4-triazol-1-yl)phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[5-nitro-2-(1,2,4-triazol-1-yl)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[5-nitro-2-(1,2,4-triazol-1-yl)phenyl]prop-2-enoic acid CAS Name: (E)-3-[5-nitro-2-(1,2,4-triazol-1-yl)phenyl]-2-propenoic acid IUPAC Name: (E)-3-[5-nitro-2-(1,2,4-triazol-1-yl)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[5-nitro-2-(1,2,4-triazol-1-yl)phenyl]acrylic acid Formula: C11H8N4O4 MolecularWeight: 260.20562

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])C=CC(=O)O)N2C=NC=N2

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])/C=C/C(=O)O)N2C=NC=N2

InChI

InChI=1S/C11H8N4O4/c16-11(17)4-1-8-5-9(15(18)19)2-3-10(8)14-7-12-6-13-14/h1-7H,(H,16,17)/b4-1+