2-[[1,3-bis(oxidanylidene)-2-(phenylmethyl)isoindol-5-yl]carbonylamino]-4-nitro-phenolate

Systemtic Name: 2-[[1,3-bis(oxidanylidene)-2-(phenylmethyl)isoindol-5-yl]carbonylamino]-4-nitro-phenolate Openeye Name: 2-[(2-benzyl-1,3-dioxo-isoindoline-5-carbonyl)amino]-4-nitro-phenolate CAS Name: 2-[[[1,3-dioxo-2-(phenylmethyl)-5-isoindolyl]-oxomethyl]amino]-4-nitrophenolate IUPAC Name: 2-[(2-benzyl-1,3-dioxoisoindole-5-carbonyl)amino]-4-nitrophenolate Traditional Name: 2-[(2-benzyl-1,3-diketo-isoindoline-5-carbonyl)amino]-4-nitro-phenolate Formula: C22H14N3O6- MolecularWeight: 416.36306

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])[O-]

InChI

InChI=1S/C22H15N3O6/c26-19-9-7-15(25(30)31)11-18(19)23-20(27)14-6-8-16-17(10-14)22(29)24(21(16)28)12-13-4-2-1-3-5-13/h1-11,26H,12H2,(H,23,27)/p-1