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

Systemtic Name: 2-[3-[5-(2-chlorophenyl)furan-2-yl]-7-iodanyl-2,5-bis(oxidanylidene)-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-phenyl-ethanoic acid Openeye Name: 2-[3-[5-(2-chlorophenyl)-2-furyl]-7-iodo-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-phenyl-acetic acid CAS Name: 2-[3-[5-(2-chlorophenyl)-2-furanyl]-7-iodo-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-phenylacetic acid IUPAC Name: 2-[3-[5-(2-chlorophenyl)furan-2-yl]-7-iodo-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-phenylacetic acid Traditional Name: 2-[3-[5-(2-chlorophenyl)-2-furyl]-7-iodo-2,5-diketo-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-phenyl-acetic acid Formula: C27H18ClIN2O5 MolecularWeight: 612.79969

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)O)N2C(C(=O)NC3=C(C2=O)C=C(C=C3)I)C4=CC=C(O4)C5=CC=CC=C5Cl

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)O)N2C(C(=O)NC3=C(C2=O)C=C(C=C3)I)C4=CC=C(O4)C5=CC=CC=C5Cl

InChI

InChI=1S/C27H18ClIN2O5/c28-19-9-5-4-8-17(19)21-12-13-22(36-21)24-25(32)30-20-11-10-16(29)14-18(20)26(33)31(24)23(27(34)35)15-6-2-1-3-7-15/h1-14,23-24H,(H,30,32)(H,34,35)