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

Systemtic Name: 2-(4-chlorophenyl)-2-[3-(4-chlorophenyl)-2,5-bis(oxidanylidene)-7-(1H-pyrrol-3-yl)-1,3-dihydro-1,4-benzodiazepin-4-yl]ethanoic acid Openeye Name: 2-(4-chlorophenyl)-2-[3-(4-chlorophenyl)-2,5-dioxo-7-(1H-pyrrol-3-yl)-1,3-dihydro-1,4-benzodiazepin-4-yl]acetic acid CAS Name: 2-(4-chlorophenyl)-2-[3-(4-chlorophenyl)-2,5-dioxo-7-(1H-pyrrol-3-yl)-1,3-dihydro-1,4-benzodiazepin-4-yl]acetic acid IUPAC Name: 2-(4-chlorophenyl)-2-[3-(4-chlorophenyl)-2,5-dioxo-7-(1H-pyrrol-3-yl)-1,3-dihydro-1,4-benzodiazepin-4-yl]acetic acid Traditional Name: 2-(4-chlorophenyl)-2-[3-(4-chlorophenyl)-2,5-diketo-7-(1H-pyrrol-3-yl)-1,3-dihydro-1,4-benzodiazepin-4-yl]acetic acid Formula: C27H19Cl2N3O4 MolecularWeight: 520.36346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2C(=O)NC3=C(C=C(C=C3)C4=CNC=C4)C(=O)N2C(C5=CC=C(C=C5)Cl)C(=O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1C2C(=O)NC3=C(C=C(C=C3)C4=CNC=C4)C(=O)N2C(C5=CC=C(C=C5)Cl)C(=O)O)Cl

InChI

InChI=1S/C27H19Cl2N3O4/c28-19-6-1-15(2-7-19)23-25(33)31-22-10-5-17(18-11-12-30-14-18)13-21(22)26(34)32(23)24(27(35)36)16-3-8-20(29)9-4-16/h1-14,23-24,30H,(H,31,33)(H,35,36)