2-(8-carboxy-4-methyl-3-oxidanylidene-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)ethanoate hydrochloride

Systemtic Name: 2-(8-carboxy-4-methyl-3-oxidanylidene-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)ethanoate hydrochloride Openeye Name: 2-(8-carboxy-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)acetate hydrochloride CAS Name: 2-(8-carboxy-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)acetate hydrochloride IUPAC Name: 2-(8-carboxy-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)acetate hydrochloride Traditional Name: 2-(8-carboxy-3-keto-4-methyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)acetate hydrochloride Formula: C13H14ClN2O5- MolecularWeight: 313.71366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=C(C=C(C=C2)C(=O)O)NC(C1=O)CC(=O)[O-].Cl

Isomeric SMILES

CN1CC2=C(C=C(C=C2)C(=O)O)NC(C1=O)CC(=O)[O-].Cl

InChI

InChI=1S/C13H14N2O5.ClH/c1-15-6-8-3-2-7(13(19)20)4-9(8)14-10(12(15)18)5-11(16)17;/h2-4,10,14H,5-6H2,1H3,(H,16,17)(H,19,20);1H/p-1