1-[2-(3,5-dimethylphenoxy)ethyl]-5-nitro-2-oxidanylidene-pyridine-3-carbonitrile

Systemtic Name: 1-[2-(3,5-dimethylphenoxy)ethyl]-5-nitro-2-oxidanylidene-pyridine-3-carbonitrile Openeye Name: 1-[2-(3,5-dimethylphenoxy)ethyl]-5-nitro-2-oxo-pyridine-3-carbonitrile CAS Name: 1-[2-(3,5-dimethylphenoxy)ethyl]-5-nitro-2-oxo-3-pyridinecarbonitrile IUPAC Name: 1-[2-(3,5-dimethylphenoxy)ethyl]-5-nitro-2-oxopyridine-3-carbonitrile Traditional Name: 1-[2-(3,5-dimethylphenoxy)ethyl]-2-keto-5-nitro-nicotinonitrile Formula: C16H15N3O4 MolecularWeight: 313.308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCN2C=C(C=C(C2=O)C#N)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCN2C=C(C=C(C2=O)C#N)[N+](=O)[O-])C

InChI

InChI=1S/C16H15N3O4/c1-11-5-12(2)7-15(6-11)23-4-3-18-10-14(19(21)22)8-13(9-17)16(18)20/h5-8,10H,3-4H2,1-2H3