3-(1H-imidazol-5-yl)-2-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methylamino]propanoic acid

Systemtic Name: 3-(1H-imidazol-5-yl)-2-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methylamino]propanoic acid Openeye Name: 3-(1H-imidazol-5-yl)-2-[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]propanoic acid CAS Name: 3-(1H-imidazol-5-yl)-2-[(4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]propanoic acid IUPAC Name: 3-(1H-imidazol-5-yl)-2-[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]propanoic acid Traditional Name: 3-(1H-imidazol-5-yl)-2-[(4-ketocyclohexa-2,5-dien-1-ylidene)methylamino]propionic acid Formula: C13H13N3O3 MolecularWeight: 259.26062

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C=CC1=CNC(CC2=CN=CN2)C(=O)O

Isomeric SMILES

C1=CC(=O)C=CC1=CNC(CC2=CN=CN2)C(=O)O

InChI

InChI=1S/C13H13N3O3/c17-11-3-1-9(2-4-11)6-15-12(13(18)19)5-10-7-14-8-16-10/h1-4,6-8,12,15H,5H2,(H,14,16)(H,18,19)