methyl 2-(7-iodanyl-3-oxidanylidene-1,2,4,5-tetrahydro-1,4-benzodiazepin-2-yl)ethanoate

Systemtic Name: methyl 2-(7-iodanyl-3-oxidanylidene-1,2,4,5-tetrahydro-1,4-benzodiazepin-2-yl)ethanoate Openeye Name: methyl 2-(7-iodo-3-oxo-1,2,4,5-tetrahydro-1,4-benzodiazepin-2-yl)acetate CAS Name: 2-(7-iodo-3-oxo-1,2,4,5-tetrahydro-1,4-benzodiazepin-2-yl)acetic acid methyl ester IUPAC Name: methyl 2-(7-iodo-3-oxo-1,2,4,5-tetrahydro-1,4-benzodiazepin-2-yl)acetate Traditional Name: 2-(7-iodo-3-keto-1,2,4,5-tetrahydro-1,4-benzodiazepin-2-yl)acetic acid methyl ester Formula: C12H13IN2O3 MolecularWeight: 360.14769

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C(=O)NCC2=C(N1)C=CC(=C2)I

Isomeric SMILES

COC(=O)CC1C(=O)NCC2=C(N1)C=CC(=C2)I

InChI

InChI=1S/C12H13IN2O3/c1-18-11(16)5-10-12(17)14-6-7-4-8(13)2-3-9(7)15-10/h2-4,10,15H,5-6H2,1H3,(H,14,17)