7-chloranyl-1-(ethoxymethyl)-5-phenyl-2,3-dihydro-1,4-benzodiazepine; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: 7-chloranyl-1-(ethoxymethyl)-5-phenyl-2,3-dihydro-1,4-benzodiazepine; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: 7-chloro-1-(ethoxymethyl)-5-phenyl-2,3-dihydro-1,4-benzodiazepine; citric acid CAS Name: 7-chloro-1-(ethoxymethyl)-5-phenyl-2,3-dihydro-1,4-benzodiazepine; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 7-chloro-1-(ethoxymethyl)-5-phenyl-2,3-dihydro-1,4-benzodiazepine; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: 7-chloro-1-(ethoxymethyl)-5-phenyl-2,3-dihydro-1,4-benzodiazepine; citric acid Formula: C24H27ClN2O8 MolecularWeight: 506.93278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCN1CCN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCOCN1CCN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C18H19ClN2O.C6H8O7/c1-2-22-13-21-11-10-20-18(14-6-4-3-5-7-14)16-12-15(19)8-9-17(16)21;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-9,12H,2,10-11,13H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)