2-[[5-(dimethylaminomethyl)-4-[4-nitro-2-(phenylcarbonyl)phenyl]-1,2,4-triazol-3-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[5-(dimethylaminomethyl)-4-[4-nitro-2-(phenylcarbonyl)phenyl]-1,2,4-triazol-3-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[4-(2-benzoyl-4-nitro-phenyl)-5-(dimethylaminomethyl)-1,2,4-triazol-3-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[4-(2-benzoyl-4-nitrophenyl)-5-(dimethylaminomethyl)-1,2,4-triazol-3-yl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-(2-benzoyl-4-nitrophenyl)-5-(dimethylaminomethyl)-1,2,4-triazol-3-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[4-(2-benzoyl-4-nitro-phenyl)-5-(dimethylaminomethyl)-1,2,4-triazol-3-yl]methyl]isoindoline-1,3-quinone Formula: C27H22N6O5 MolecularWeight: 510.50078

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=NN=C(N1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3)CN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CN(C)CC1=NN=C(N1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3)CN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C27H22N6O5/c1-30(2)15-23-28-29-24(16-31-26(35)19-10-6-7-11-20(19)27(31)36)32(23)22-13-12-18(33(37)38)14-21(22)25(34)17-8-4-3-5-9-17/h3-14H,15-16H2,1-2H3