2-(4-chlorophenyl)-2-[3-(4-chlorophenyl)-2,5-bis(oxidanylidene)-7-phenyl-1,3-dihydro-1,4-benzodiazepin-4-yl]ethanoic acid

Systemtic Name: 2-(4-chlorophenyl)-2-[3-(4-chlorophenyl)-2,5-bis(oxidanylidene)-7-phenyl-1,3-dihydro-1,4-benzodiazepin-4-yl]ethanoic acid Openeye Name: 2-(4-chlorophenyl)-2-[3-(4-chlorophenyl)-2,5-dioxo-7-phenyl-1,3-dihydro-1,4-benzodiazepin-4-yl]acetic acid CAS Name: 2-(4-chlorophenyl)-2-[3-(4-chlorophenyl)-2,5-dioxo-7-phenyl-1,3-dihydro-1,4-benzodiazepin-4-yl]acetic acid IUPAC Name: 2-(4-chlorophenyl)-2-[3-(4-chlorophenyl)-2,5-dioxo-7-phenyl-1,3-dihydro-1,4-benzodiazepin-4-yl]acetic acid Traditional Name: 2-(4-chlorophenyl)-2-[3-(4-chlorophenyl)-2,5-diketo-7-phenyl-1,3-dihydro-1,4-benzodiazepin-4-yl]acetic acid Formula: C29H20Cl2N2O4 MolecularWeight: 531.3861

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC3=C(C=C2)NC(=O)C(N(C3=O)C(C4=CC=C(C=C4)Cl)C(=O)O)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=CC3=C(C=C2)NC(=O)C(N(C3=O)C(C4=CC=C(C=C4)Cl)C(=O)O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C29H20Cl2N2O4/c30-21-11-6-18(7-12-21)25-27(34)32-24-15-10-20(17-4-2-1-3-5-17)16-23(24)28(35)33(25)26(29(36)37)19-8-13-22(31)14-9-19/h1-16,25-26H,(H,32,34)(H,36,37)