5-[(E)-4,6-bis(oxidanylidene)hex-1-enyl]-2,3-bis(oxidanyl)benzenecarbonitrile

Systemtic Name: 5-[(E)-4,6-bis(oxidanylidene)hex-1-enyl]-2,3-bis(oxidanyl)benzenecarbonitrile Openeye Name: 5-[(E)-4,6-dioxohex-1-enyl]-2,3-dihydroxy-benzonitrile CAS Name: 5-[(E)-4,6-dioxohex-1-enyl]-2,3-dihydroxybenzonitrile IUPAC Name: 5-[(E)-4,6-dioxohex-1-enyl]-2,3-dihydroxybenzonitrile Traditional Name: 5-[(E)-4,6-diketohex-1-enyl]-2,3-dihydroxy-benzonitrile Formula: C13H11NO4 MolecularWeight: 245.23074

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1O)O)C#N)C=CCC(=O)CC=O

Isomeric SMILES

C1=C(C=C(C(=C1O)O)C#N)/C=C/CC(=O)CC=O

InChI

InChI=1S/C13H11NO4/c14-8-10-6-9(7-12(17)13(10)18)2-1-3-11(16)4-5-15/h1-2,5-7,17-18H,3-4H2/b2-1+