N-(3-hydroxyphenyl)-3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]benzamide

Systemtic Name: N-(3-hydroxyphenyl)-3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]benzamide Openeye Name: N-(3-hydroxyphenyl)-3-(4-nitro-1,3-dioxo-isoindolin-2-yl)benzamide CAS Name: N-(3-hydroxyphenyl)-3-(4-nitro-1,3-dioxo-2-isoindolyl)benzamide IUPAC Name: N-(3-hydroxyphenyl)-3-(4-nitro-1,3-dioxoisoindol-2-yl)benzamide Traditional Name: 3-(1,3-diketo-4-nitro-isoindolin-2-yl)-N-(3-hydroxyphenyl)benzamide Formula: C21H13N3O6 MolecularWeight: 403.34442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])C(=O)NC4=CC(=CC=C4)O

Isomeric SMILES

C1=CC(=CC(=C1)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])C(=O)NC4=CC(=CC=C4)O

InChI

InChI=1S/C21H13N3O6/c25-15-7-2-5-13(11-15)22-19(26)12-4-1-6-14(10-12)23-20(27)16-8-3-9-17(24(29)30)18(16)21(23)28/h1-11,25H,(H,22,26)