3-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-4-nitro-benzenecarbonitrile

Systemtic Name: 3-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-4-nitro-benzenecarbonitrile Openeye Name: 3-[(1,3-dioxoisoindolin-2-yl)methyl]-4-nitro-benzonitrile CAS Name: 3-[(1,3-dioxo-2-isoindolyl)methyl]-4-nitrobenzonitrile IUPAC Name: 3-[(1,3-dioxoisoindol-2-yl)methyl]-4-nitrobenzonitrile Traditional Name: 4-nitro-3-(phthalimidomethyl)benzonitrile Formula: C16H9N3O4 MolecularWeight: 307.26036

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=C(C=CC(=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=C(C=CC(=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C16H9N3O4/c17-8-10-5-6-14(19(22)23)11(7-10)9-18-15(20)12-3-1-2-4-13(12)16(18)21/h1-7H,9H2