4-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]-5-nitro-benzene-1,2-dicarbonitrile

Systemtic Name: 4-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]-5-nitro-benzene-1,2-dicarbonitrile Openeye Name: 4-[2-(4-methoxyphenyl)-2-oxo-ethyl]-5-nitro-phthalonitrile CAS Name: 4-[2-(4-methoxyphenyl)-2-oxoethyl]-5-nitrobenzene-1,2-dicarbonitrile IUPAC Name: 4-[2-(4-methoxyphenyl)-2-oxoethyl]-5-nitrobenzene-1,2-dicarbonitrile Traditional Name: 4-[2-keto-2-(4-methoxyphenyl)ethyl]-5-nitro-phthalonitrile Formula: C17H11N3O4 MolecularWeight: 321.28694

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CC2=C(C=C(C(=C2)C#N)C#N)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CC2=C(C=C(C(=C2)C#N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C17H11N3O4/c1-24-15-4-2-11(3-5-15)17(21)8-12-6-13(9-18)14(10-19)7-16(12)20(22)23/h2-7H,8H2,1H3