3-[2-[3-nitro-4,5-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]benzenecarbonitrile

Systemtic Name: 3-[2-[3-nitro-4,5-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]benzenecarbonitrile Openeye Name: 3-[2-(3,4-dihydroxy-5-nitro-phenyl)-2-oxo-ethyl]benzonitrile CAS Name: 3-[2-(3,4-dihydroxy-5-nitrophenyl)-2-oxoethyl]benzonitrile IUPAC Name: 3-[2-(3,4-dihydroxy-5-nitrophenyl)-2-oxoethyl]benzonitrile Traditional Name: 3-[2-(3,4-dihydroxy-5-nitro-phenyl)-2-keto-ethyl]benzonitrile Formula: C15H10N2O5 MolecularWeight: 298.2503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H10N2O5/c16-8-10-3-1-2-9(4-10)5-13(18)11-6-12(17(21)22)15(20)14(19)7-11/h1-4,6-7,19-20H,5H2