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

Systemtic Name: 2-[3-[(4-nitrophenyl)methyl]-5-oxidanylidene-1H-1,2,4-triazol-4-yl]isoindole-1,3-dione Openeye Name: 2-[3-[(4-nitrophenyl)methyl]-5-oxo-1H-1,2,4-triazol-4-yl]isoindoline-1,3-dione CAS Name: 2-[3-[(4-nitrophenyl)methyl]-5-oxo-1H-1,2,4-triazol-4-yl]isoindole-1,3-dione IUPAC Name: 2-[3-[(4-nitrophenyl)methyl]-5-oxo-1H-1,2,4-triazol-4-yl]isoindole-1,3-dione Traditional Name: 2-[5-keto-3-(4-nitrobenzyl)-1H-1,2,4-triazol-4-yl]isoindoline-1,3-quinone Formula: C17H11N5O5 MolecularWeight: 365.29974

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)N3C(=NNC3=O)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)N3C(=NNC3=O)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H11N5O5/c23-15-12-3-1-2-4-13(12)16(24)21(15)20-14(18-19-17(20)25)9-10-5-7-11(8-6-10)22(26)27/h1-8H,9H2,(H,19,25)