2-[8-carboxy-3-(2,2-dimethoxyethylamino)-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoate

Systemtic Name: 2-[8-carboxy-3-(2,2-dimethoxyethylamino)-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoate Openeye Name: 2-[8-carboxy-3-(2,2-dimethoxyethylamino)-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate CAS Name: 2-[8-carboxy-3-(2,2-dimethoxyethylamino)-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate IUPAC Name: 2-[8-carboxy-3-(2,2-dimethoxyethylamino)-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate Traditional Name: 2-[8-carboxy-3-(2,2-dimethoxyethylamino)-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate Formula: C16H20N3O6- MolecularWeight: 350.3465

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Descriptors Computed from Structure

Canonical SMILES:

COC(CNC1=NCC2=C(C=C(C=C2)C(=O)O)NC1CC(=O)[O-])OC

Isomeric SMILES

COC(CNC1=NCC2=C(C=C(C=C2)C(=O)O)NC1CC(=O)[O-])OC

InChI

InChI=1S/C16H21N3O6/c1-24-14(25-2)8-18-15-12(6-13(20)21)19-11-5-9(16(22)23)3-4-10(11)7-17-15/h3-5,12,14,19H,6-8H2,1-2H3,(H,17,18)(H,20,21)(H,22,23)/p-1