3,5,5-tris[1-[(4-chlorophenyl)methyl]-2-methyl-5-nitro-indol-3-yl]furan-2-one

Systemtic Name: 3,5,5-tris[1-[(4-chlorophenyl)methyl]-2-methyl-5-nitro-indol-3-yl]furan-2-one Openeye Name: 3,5,5-tris[1-[(4-chlorophenyl)methyl]-2-methyl-5-nitro-indol-3-yl]furan-2-one CAS Name: 3,5,5-tris[1-[(4-chlorophenyl)methyl]-2-methyl-5-nitro-3-indolyl]-2-furanone IUPAC Name: 3,5,5-tris[1-[(4-chlorophenyl)methyl]-2-methyl-5-nitroindol-3-yl]furan-2-one Traditional Name: 3,5,5-tris[1-(4-chlorobenzyl)-2-methyl-5-nitro-indol-3-yl]furan-2-one Formula: C52H37Cl3N6O8 MolecularWeight: 980.24458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3=CC=C(C=C3)Cl)C=CC(=C2)[N+](=O)[O-])C4=CC(OC4=O)(C5=C(N(C6=C5C=C(C=C6)[N+](=O)[O-])CC7=CC=C(C=C7)Cl)C)C8=C(N(C9=C8C=C(C=C9)[N+](=O)[O-])CC1=CC=C(C=C1)Cl)C

Isomeric SMILES

CC1=C(C2=C(N1CC3=CC=C(C=C3)Cl)C=CC(=C2)[N+](=O)[O-])C4=CC(OC4=O)(C5=C(N(C6=C5C=C(C=C6)[N+](=O)[O-])CC7=CC=C(C=C7)Cl)C)C8=C(N(C9=C8C=C(C=C9)[N+](=O)[O-])CC1=CC=C(C=C1)Cl)C

InChI

InChI=1S/C52H37Cl3N6O8/c1-29-48(41-22-38(59(63)64)16-19-45(41)56(29)26-32-4-10-35(53)11-5-32)44-25-52(69-51(44)62,49-30(2)57(27-33-6-12-36(54)13-7-33)46-20-17-39(60(65)66)23-42(46)49)50-31(3)58(28-34-8-14-37(55)15-9-34)47-21-18-40(61(67)68)24-43(47)50/h4-25H,26-28H2,1-3H3