3-(2-chloroethyl)-4-oxidanylidene-phthalazine-1-carbonitrile

Systemtic Name: 3-(2-chloroethyl)-4-oxidanylidene-phthalazine-1-carbonitrile Openeye Name: 3-(2-chloroethyl)-4-oxo-phthalazine-1-carbonitrile CAS Name: 3-(2-chloroethyl)-4-oxo-1-phthalazinecarbonitrile IUPAC Name: 3-(2-chloroethyl)-4-oxophthalazine-1-carbonitrile Traditional Name: 3-(2-chloroethyl)-4-keto-phthalazine-1-carbonitrile Formula: C11H8ClN3O MolecularWeight: 233.65372

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CCCl)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CCCl)C#N

InChI

InChI=1S/C11H8ClN3O/c12-5-6-15-11(16)9-4-2-1-3-8(9)10(7-13)14-15/h1-4H,5-6H2