2-[(2S)-7-iodanyl-4-methyl-3-oxidanylidene-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoic acid

Systemtic Name: 2-[(2S)-7-iodanyl-4-methyl-3-oxidanylidene-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoic acid Openeye Name: 2-[(2S)-7-iodo-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid CAS Name: 2-[(2S)-7-iodo-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid IUPAC Name: 2-[(2S)-7-iodo-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Traditional Name: 2-[(2S)-7-iodo-3-keto-4-methyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Formula: C12H13IN2O3 MolecularWeight: 360.14769

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=C(C=CC(=C2)I)NC(C1=O)CC(=O)O

Isomeric SMILES

CN1CC2=C(C=CC(=C2)I)N[C@H](C1=O)CC(=O)O

InChI

InChI=1S/C12H13IN2O3/c1-15-6-7-4-8(13)2-3-9(7)14-10(12(15)18)5-11(16)17/h2-4,10,14H,5-6H2,1H3,(H,16,17)/t10-/m0/s1