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

Systemtic Name: N-[2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-5-nitro-thiophene-2-carboxamide Openeye Name: N-[2-(3,4-diethoxyanilino)-2-oxo-ethyl]-N-methyl-5-nitro-thiophene-2-carboxamide CAS Name: N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-5-nitro-2-thiophenecarboxamide IUPAC Name: N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-5-nitrothiophene-2-carboxamide Traditional Name: N-[2-(3,4-diethoxyanilino)-2-keto-ethyl]-N-methyl-5-nitro-thiophene-2-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=CC=C(S2)[N+](=O)[O-])OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)CN(C)C(=O)C2=CC=C(S2)[N+](=O)[O-])OCC

InChI

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