2-(7-iodanyl-3-oxidanylidene-1,2,4,5-tetrahydro-1,4-benzodiazepin-2-yl)ethanoic acid

Systemtic Name: 2-(7-iodanyl-3-oxidanylidene-1,2,4,5-tetrahydro-1,4-benzodiazepin-2-yl)ethanoic acid Openeye Name: 2-(7-iodo-3-oxo-1,2,4,5-tetrahydro-1,4-benzodiazepin-2-yl)acetic acid CAS Name: 2-(7-iodo-3-oxo-1,2,4,5-tetrahydro-1,4-benzodiazepin-2-yl)acetic acid IUPAC Name: 2-(7-iodo-3-oxo-1,2,4,5-tetrahydro-1,4-benzodiazepin-2-yl)acetic acid Traditional Name: 2-(7-iodo-3-keto-1,2,4,5-tetrahydro-1,4-benzodiazepin-2-yl)acetic acid Formula: C11H11IN2O3 MolecularWeight: 346.12111

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)I)NC(C(=O)N1)CC(=O)O

Isomeric SMILES

C1C2=C(C=CC(=C2)I)NC(C(=O)N1)CC(=O)O

InChI

InChI=1S/C11H11IN2O3/c12-7-1-2-8-6(3-7)5-13-11(17)9(14-8)4-10(15)16/h1-3,9,14H,4-5H2,(H,13,17)(H,15,16)