2-[(2S,3S)-3-(2-azanyl-1H-imidazol-5-yl)-2-chloranyl-3-oxidanyl-propyl]isoindole-1,3-dione

Systemtic Name: 2-[(2S,3S)-3-(2-azanyl-1H-imidazol-5-yl)-2-chloranyl-3-oxidanyl-propyl]isoindole-1,3-dione Openeye Name: 2-[(2S,3S)-3-(2-amino-1H-imidazol-5-yl)-2-chloro-3-hydroxy-propyl]isoindoline-1,3-dione CAS Name: 2-[(2S,3S)-3-(2-amino-1H-imidazol-5-yl)-2-chloro-3-hydroxypropyl]isoindole-1,3-dione IUPAC Name: 2-[(2S,3S)-3-(2-amino-1H-imidazol-5-yl)-2-chloro-3-hydroxypropyl]isoindole-1,3-dione Traditional Name: 2-[(2S,3S)-3-(2-amino-1H-imidazol-5-yl)-2-chloro-3-hydroxy-propyl]isoindoline-1,3-quinone Formula: C14H13ClN4O3 MolecularWeight: 320.73102

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CC(C(C3=CN=C(N3)N)O)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)C[C@@H]([C@H](C3=CN=C(N3)N)O)Cl

InChI

InChI=1S/C14H13ClN4O3/c15-9(11(20)10-5-17-14(16)18-10)6-19-12(21)7-3-1-2-4-8(7)13(19)22/h1-5,9,11,20H,6H2,(H3,16,17,18)/t9-,11+/m0/s1