(Z)-4-(3-imidazol-1-ylpropylamino)-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (Z)-4-(3-imidazol-1-ylpropylamino)-4-oxidanylidene-but-2-enoic acid Openeye Name: (Z)-4-(3-imidazol-1-ylpropylamino)-4-oxo-but-2-enoic acid CAS Name: (Z)-4-[3-(1-imidazolyl)propylamino]-4-oxo-2-butenoic acid IUPAC Name: (Z)-4-(3-imidazol-1-ylpropylamino)-4-oxobut-2-enoic acid Traditional Name: (Z)-4-(3-imidazol-1-ylpropylamino)-4-keto-but-2-enoic acid Formula: C10H13N3O3 MolecularWeight: 223.22852

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=N1)CCCNC(=O)C=CC(=O)O

Isomeric SMILES

C1=CN(C=N1)CCCNC(=O)/C=C\C(=O)O

InChI

InChI=1S/C10H13N3O3/c14-9(2-3-10(15)16)12-4-1-6-13-7-5-11-8-13/h2-3,5,7-8H,1,4,6H2,(H,12,14)(H,15,16)/b3-2-