2-[[(E)-3-(1H-imidazol-5-yl)prop-2-enoyl]amino]benzoic acid

Systemtic Name: 2-[[(E)-3-(1H-imidazol-5-yl)prop-2-enoyl]amino]benzoic acid Openeye Name: 2-[[(E)-3-(1H-imidazol-5-yl)prop-2-enoyl]amino]benzoic acid CAS Name: 2-[[(E)-3-(1H-imidazol-5-yl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 2-[[(E)-3-(1H-imidazol-5-yl)prop-2-enoyl]amino]benzoic acid Traditional Name: 2-[[(E)-3-(1H-imidazol-5-yl)acryloyl]amino]benzoic acid Formula: C13H11N3O3 MolecularWeight: 257.24474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N3O3/c17-12(6-5-9-7-14-8-15-9)16-11-4-2-1-3-10(11)13(18)19/h1-8H,(H,14,15)(H,16,17)(H,18,19)/b6-5+