2-(3-nitrophenyl)-1,3-bis(oxidanylidene)-N-(1H-1,2,4-triazol-5-yl)isoindole-5-carboxamide

Systemtic Name: 2-(3-nitrophenyl)-1,3-bis(oxidanylidene)-N-(1H-1,2,4-triazol-5-yl)isoindole-5-carboxamide Openeye Name: 2-(3-nitrophenyl)-1,3-dioxo-N-(1H-1,2,4-triazol-5-yl)isoindoline-5-carboxamide CAS Name: 2-(3-nitrophenyl)-1,3-dioxo-N-(1H-1,2,4-triazol-5-yl)-5-isoindolecarboxamide IUPAC Name: 2-(3-nitrophenyl)-1,3-dioxo-N-(1H-1,2,4-triazol-5-yl)isoindole-5-carboxamide Traditional Name: 1,3-diketo-2-(3-nitrophenyl)-N-(1H-1,2,4-triazol-5-yl)isoindoline-5-carboxamide Formula: C17H10N6O5 MolecularWeight: 378.2985

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=NC=NN4

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=NC=NN4

InChI

InChI=1S/C17H10N6O5/c24-14(20-17-18-8-19-21-17)9-4-5-12-13(6-9)16(26)22(15(12)25)10-2-1-3-11(7-10)23(27)28/h1-8H,(H2,18,19,20,21,24)