carbonic acid; 2,4-diethylbenzene-1,3-dicarbonitrile

Systemtic Name: carbonic acid; 2,4-diethylbenzene-1,3-dicarbonitrile Openeye Name: carbonic acid; 2,4-diethylbenzene-1,3-dicarbonitrile CAS Name: carbonic acid; 2,4-diethylbenzene-1,3-dicarbonitrile IUPAC Name: carbonic acid; 2,4-diethylbenzene-1,3-dicarbonitrile Traditional Name: carbonic acid; 2,4-diethylisophthalonitrile Formula: C13H14N2O3 MolecularWeight: 246.26186

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1)C#N)CC)C#N.C(=O)(O)O

Isomeric SMILES

CCC1=C(C(=C(C=C1)C#N)CC)C#N.C(=O)(O)O

InChI

InChI=1S/C12H12N2.CH2O3/c1-3-9-5-6-10(7-13)11(4-2)12(9)8-14;2-1(3)4/h5-6H,3-4H2,1-2H3;(H2,2,3,4)