4-[(E)-3-(1H-imidazol-2-yl)prop-2-enoyl]benzoic acid

Systemtic Name: 4-[(E)-3-(1H-imidazol-2-yl)prop-2-enoyl]benzoic acid Openeye Name: 4-[(E)-3-(1H-imidazol-2-yl)prop-2-enoyl]benzoic acid CAS Name: 4-[(E)-3-(1H-imidazol-2-yl)-1-oxoprop-2-enyl]benzoic acid IUPAC Name: 4-[(E)-3-(1H-imidazol-2-yl)prop-2-enoyl]benzoic acid Traditional Name: 4-[(E)-3-(1H-imidazol-2-yl)acryloyl]benzoic acid Formula: C13H10N2O3 MolecularWeight: 242.2301

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)C=CC2=NC=CN2)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)/C=C/C2=NC=CN2)C(=O)O

InChI

InChI=1S/C13H10N2O3/c16-11(5-6-12-14-7-8-15-12)9-1-3-10(4-2-9)13(17)18/h1-8H,(H,14,15)(H,17,18)/b6-5+