4-(4-azanylidene-3-cyano-2-oxidanylidene-pentoxy)-3-chloranyl-benzenecarbonitrile

Systemtic Name: 4-(4-azanylidene-3-cyano-2-oxidanylidene-pentoxy)-3-chloranyl-benzenecarbonitrile Openeye Name: 3-chloro-4-(3-cyano-4-imino-2-oxo-pentoxy)benzonitrile CAS Name: 3-chloro-4-(3-cyano-4-imino-2-oxopentoxy)benzonitrile IUPAC Name: 3-chloro-4-(3-cyano-4-imino-2-oxopentoxy)benzonitrile Traditional Name: 3-chloro-4-(3-cyano-4-imino-2-keto-pentoxy)benzonitrile Formula: C13H10ClN3O2 MolecularWeight: 275.6904

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC1=C(C=C(C=C1)C#N)Cl

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC1=C(C=C(C=C1)C#N)Cl

InChI

InChI=1S/C13H10ClN3O2/c1-8(17)10(6-16)12(18)7-19-13-3-2-9(5-15)4-11(13)14/h2-4,10,17H,7H2,1H3