2-[3-nitro-4,5-bis(oxidanyl)phenyl]carbonylbenzenecarbonitrile

Systemtic Name: 2-[3-nitro-4,5-bis(oxidanyl)phenyl]carbonylbenzenecarbonitrile Openeye Name: 2-(3,4-dihydroxy-5-nitro-benzoyl)benzonitrile CAS Name: 2-[(3,4-dihydroxy-5-nitrophenyl)-oxomethyl]benzonitrile IUPAC Name: 2-(3,4-dihydroxy-5-nitrobenzoyl)benzonitrile Traditional Name: 2-(3,4-dihydroxy-5-nitro-benzoyl)benzonitrile Formula: C14H8N2O5 MolecularWeight: 284.22372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H8N2O5/c15-7-8-3-1-2-4-10(8)13(18)9-5-11(16(20)21)14(19)12(17)6-9/h1-6,17,19H