2-[[4-[2-(2-chlorophenyl)carbonyl-4-nitro-phenyl]-5-(2-dimethylaminoethyl)-1,2,4-triazol-3-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[4-[2-(2-chlorophenyl)carbonyl-4-nitro-phenyl]-5-(2-dimethylaminoethyl)-1,2,4-triazol-3-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[4-[2-(2-chlorobenzoyl)-4-nitro-phenyl]-5-(2-dimethylaminoethyl)-1,2,4-triazol-3-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[4-[2-[(2-chlorophenyl)-oxomethyl]-4-nitrophenyl]-5-(2-dimethylaminoethyl)-1,2,4-triazol-3-yl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-[2-(2-chlorobenzoyl)-4-nitrophenyl]-5-(2-dimethylaminoethyl)-1,2,4-triazol-3-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[4-[2-(2-chlorobenzoyl)-4-nitro-phenyl]-5-(2-dimethylaminoethyl)-1,2,4-triazol-3-yl]methyl]isoindoline-1,3-quinone Formula: C28H23ClN6O5 MolecularWeight: 558.97242

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1=NN=C(N1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3Cl)CN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CN(C)CCC1=NN=C(N1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3Cl)CN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C28H23ClN6O5/c1-32(2)14-13-24-30-31-25(16-33-27(37)18-7-3-4-8-19(18)28(33)38)34(24)23-12-11-17(35(39)40)15-21(23)26(36)20-9-5-6-10-22(20)29/h3-12,15H,13-14,16H2,1-2H3