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

Systemtic Name: 3-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-N-[4-(4-nitrophenyl)sulfanylphenyl]benzamide Openeye Name: 3-(5-nitro-1,3-dioxo-isoindolin-2-yl)-N-[4-(4-nitrophenyl)sulfanylphenyl]benzamide CAS Name: 3-(5-nitro-1,3-dioxo-2-isoindolyl)-N-[4-[(4-nitrophenyl)thio]phenyl]benzamide IUPAC Name: 3-(5-nitro-1,3-dioxoisoindol-2-yl)-N-[4-(4-nitrophenyl)sulfanylphenyl]benzamide Traditional Name: 3-(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(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C(=O)NC4=CC=C(C=C4)SC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C(=O)NC4=CC=C(C=C4)SC5=CC=C(C=C5)[N+](=O)[O-]

InChI

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