ethanoic acid; 7-iodanyl-1,2,4,5-tetrahydro-1,4-benzodiazepin-3-one

Systemtic Name: ethanoic acid; 7-iodanyl-1,2,4,5-tetrahydro-1,4-benzodiazepin-3-one Openeye Name: acetic acid; 7-iodo-1,2,4,5-tetrahydro-1,4-benzodiazepin-3-one CAS Name: acetic acid; 7-iodo-1,2,4,5-tetrahydro-1,4-benzodiazepin-3-one IUPAC Name: acetic acid; 7-iodo-1,2,4,5-tetrahydro-1,4-benzodiazepin-3-one Traditional Name: acetic acid; 7-iodo-1,2,4,5-tetrahydro-1,4-benzodiazepin-3-one Formula: C11H13IN2O3 MolecularWeight: 348.13699

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1C2=C(C=CC(=C2)I)NCC(=O)N1

Isomeric SMILES

CC(=O)O.C1C2=C(C=CC(=C2)I)NCC(=O)N1

InChI

InChI=1S/C9H9IN2O.C2H4O2/c10-7-1-2-8-6(3-7)4-12-9(13)5-11-8;1-2(3)4/h1-3,11H,4-5H2,(H,12,13);1H3,(H,3,4)