N-[2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-5-nitro-thiophene-3-carboxamide

Systemtic Name: N-[2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-5-nitro-thiophene-3-carboxamide Openeye Name: N-[2-(3,4-diethoxyanilino)-2-oxo-ethyl]-N-methyl-5-nitro-thiophene-3-carboxamide CAS Name: N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-5-nitro-3-thiophenecarboxamide IUPAC Name: N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-5-nitrothiophene-3-carboxamide Traditional Name: N-[2-(3,4-diethoxyanilino)-2-keto-ethyl]-N-methyl-5-nitro-thiophene-3-carboxamide Formula: C18H21N3O6S MolecularWeight: 407.44084

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)CN(C)C(=O)C2=CSC(=C2)[N+](=O)[O-])OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)CN(C)C(=O)C2=CSC(=C2)[N+](=O)[O-])OCC

InChI

InChI=1S/C18H21N3O6S/c1-4-26-14-7-6-13(9-15(14)27-5-2)19-16(22)10-20(3)18(23)12-8-17(21(24)25)28-11-12/h6-9,11H,4-5,10H2,1-3H3,(H,19,22)