N-[2-[(5-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-N-ethyl-5-nitro-thiophene-3-carboxamide

Systemtic Name: N-[2-[(5-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-N-ethyl-5-nitro-thiophene-3-carboxamide Openeye Name: N-[2-(5-chloro-2-methyl-anilino)-2-oxo-ethyl]-N-ethyl-5-nitro-thiophene-3-carboxamide CAS Name: N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-5-nitro-3-thiophenecarboxamide IUPAC Name: N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-5-nitrothiophene-3-carboxamide Traditional Name: N-[2-(5-chloro-2-methyl-anilino)-2-keto-ethyl]-N-ethyl-5-nitro-thiophene-3-carboxamide Formula: C16H16ClN3O4S MolecularWeight: 381.83394

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NC1=C(C=CC(=C1)Cl)C)C(=O)C2=CSC(=C2)[N+](=O)[O-]

Isomeric SMILES

CCN(CC(=O)NC1=C(C=CC(=C1)Cl)C)C(=O)C2=CSC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H16ClN3O4S/c1-3-19(16(22)11-6-15(20(23)24)25-9-11)8-14(21)18-13-7-12(17)5-4-10(13)2/h4-7,9H,3,8H2,1-2H3,(H,18,21)