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

Systemtic Name: 2-[[(E)-3-(furan-3-yl)prop-2-enoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid Openeye Name: 2-[[(E)-3-(3-furyl)prop-2-enoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid CAS Name: 2-[[(E)-3-(3-furanyl)-1-oxoprop-2-enyl]amino]-3-(1H-imidazol-5-yl)propanoic acid IUPAC Name: 2-[[(E)-3-(furan-3-yl)prop-2-enoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: 2-[[(E)-3-(3-furyl)acryloyl]amino]-3-(1H-imidazol-5-yl)propionic acid Formula: C13H13N3O4 MolecularWeight: 275.26002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=COC=C1/C=C/C(=O)NC(CC2=CN=CN2)C(=O)O

InChI

InChI=1S/C13H13N3O4/c17-12(2-1-9-3-4-20-7-9)16-11(13(18)19)5-10-6-14-8-15-10/h1-4,6-8,11H,5H2,(H,14,15)(H,16,17)(H,18,19)/b2-1+