4-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-N-[4-(4-nitrophenyl)sulfanylphenyl]benzamide

Systemtic Name: 4-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-N-[4-(4-nitrophenyl)sulfanylphenyl]benzamide Openeye Name: 4-(5-nitro-1,3-dioxo-isoindolin-2-yl)-N-[4-(4-nitrophenyl)sulfanylphenyl]benzamide CAS Name: 4-(5-nitro-1,3-dioxo-2-isoindolyl)-N-[4-[(4-nitrophenyl)thio]phenyl]benzamide IUPAC Name: 4-(5-nitro-1,3-dioxoisoindol-2-yl)-N-[4-(4-nitrophenyl)sulfanylphenyl]benzamide Traditional Name: 4-(1,3-diketo-5-nitro-isoindolin-2-yl)-N-[4-[(4-nitrophenyl)thio]phenyl]benzamide Formula: C27H16N4O7S MolecularWeight: 540.50354

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)SC3=CC=C(C=C3)[N+](=O)[O-])N4C(=O)C5=C(C4=O)C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)SC3=CC=C(C=C3)[N+](=O)[O-])N4C(=O)C5=C(C4=O)C=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H16N4O7S/c32-25(28-17-3-10-21(11-4-17)39-22-12-7-19(8-13-22)30(35)36)16-1-5-18(6-2-16)29-26(33)23-14-9-20(31(37)38)15-24(23)27(29)34/h1-15H,(H,28,32)