4-[4-[5-(3-nitrophenyl)carbonyl-1,3-bis(oxidanylidene)isoindol-2-yl]phenoxy]phthalate

Systemtic Name: 4-[4-[5-(3-nitrophenyl)carbonyl-1,3-bis(oxidanylidene)isoindol-2-yl]phenoxy]phthalate Openeye Name: 4-[4-[5-(3-nitrobenzoyl)-1,3-dioxo-isoindolin-2-yl]phenoxy]phthalate CAS Name: 4-[4-[5-[(3-nitrophenyl)-oxomethyl]-1,3-dioxo-2-isoindolyl]phenoxy]phthalate IUPAC Name: 4-[4-[5-(3-nitrobenzoyl)-1,3-dioxoisoindol-2-yl]phenoxy]phthalate Traditional Name: 4-[4-[1,3-diketo-5-(3-nitrobenzoyl)isoindolin-2-yl]phenoxy]phthalate Formula: C29H14N2O10-2 MolecularWeight: 550.42886

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=C(C=C4)OC5=CC(=C(C=C5)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=C(C=C4)OC5=CC(=C(C=C5)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C29H16N2O10/c32-25(15-2-1-3-18(12-15)31(39)40)16-4-10-21-23(13-16)27(34)30(26(21)33)17-5-7-19(8-6-17)41-20-9-11-22(28(35)36)24(14-20)29(37)38/h1-14H,(H,35,36)(H,37,38)/p-2