4-[[1,3-bis(oxidanylidene)isoindol-2-yl]amino]-5-nitro-benzene-1,2-dicarbonitrile

Systemtic Name: 4-[[1,3-bis(oxidanylidene)isoindol-2-yl]amino]-5-nitro-benzene-1,2-dicarbonitrile Openeye Name: 4-[(1,3-dioxoisoindolin-2-yl)amino]-5-nitro-phthalonitrile CAS Name: 4-[(1,3-dioxo-2-isoindolyl)amino]-5-nitrobenzene-1,2-dicarbonitrile IUPAC Name: 4-[(1,3-dioxoisoindol-2-yl)amino]-5-nitrobenzene-1,2-dicarbonitrile Traditional Name: 4-nitro-5-(phthalimidoamino)phthalonitrile Formula: C16H7N5O4 MolecularWeight: 333.25788

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)NC3=C(C=C(C(=C3)C#N)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)NC3=C(C=C(C(=C3)C#N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C16H7N5O4/c17-7-9-5-13(14(21(24)25)6-10(9)8-18)19-20-15(22)11-3-1-2-4-12(11)16(20)23/h1-6,19H