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

Systemtic Name: 1-[2-(2,5-dimethylthiophen-3-yl)-2-oxidanylidene-ethyl]-5-nitro-2-oxidanylidene-pyridine-3-carbonitrile Openeye Name: 1-[2-(2,5-dimethyl-3-thienyl)-2-oxo-ethyl]-5-nitro-2-oxo-pyridine-3-carbonitrile CAS Name: 1-[2-(2,5-dimethyl-3-thiophenyl)-2-oxoethyl]-5-nitro-2-oxo-3-pyridinecarbonitrile IUPAC Name: 1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-5-nitro-2-oxopyridine-3-carbonitrile Traditional Name: 1-[2-(2,5-dimethyl-3-thienyl)-2-keto-ethyl]-2-keto-5-nitro-nicotinonitrile Formula: C14H11N3O4S MolecularWeight: 317.31984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)CN2C=C(C=C(C2=O)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)CN2C=C(C=C(C2=O)C#N)[N+](=O)[O-]

InChI

InChI=1S/C14H11N3O4S/c1-8-3-12(9(2)22-8)13(18)7-16-6-11(17(20)21)4-10(5-15)14(16)19/h3-4,6H,7H2,1-2H3