2-[[5-methyl-3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[5-methyl-3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[5-methyl-3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[5-methyl-3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[5-methyl-3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[5-methyl-3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]isoindoline-1,3-quinone Formula: C18H13N5O4 MolecularWeight: 363.32692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1CN2C(=O)C3=CC=CC=C3C2=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=NN1CN2C(=O)C3=CC=CC=C3C2=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H13N5O4/c1-11-19-16(12-6-8-13(9-7-12)23(26)27)20-22(11)10-21-17(24)14-4-2-3-5-15(14)18(21)25/h2-9H,10H2,1H3