N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-2-nitro-benzamide

Systemtic Name: N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-2-nitro-benzamide Openeye Name: N-(3-cyano-4,5-dimethyl-2-thienyl)-2-nitro-benzamide CAS Name: N-(3-cyano-4,5-dimethyl-2-thiophenyl)-2-nitrobenzamide IUPAC Name: N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-nitrobenzamide Traditional Name: N-(3-cyano-4,5-dimethyl-2-thienyl)-2-nitro-benzamide Formula: C14H11N3O3S MolecularWeight: 301.32044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C2=CC=CC=C2[N+](=O)[O-])C

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)C2=CC=CC=C2[N+](=O)[O-])C

InChI

InChI=1S/C14H11N3O3S/c1-8-9(2)21-14(11(8)7-15)16-13(18)10-5-3-4-6-12(10)17(19)20/h3-6H,1-2H3,(H,16,18)