4-[(3,5-dimethylphenoxy)methyl]-N-(4-methyl-3,5-dinitro-phenyl)thiophene-2-carboxamide

Systemtic Name: 4-[(3,5-dimethylphenoxy)methyl]-N-(4-methyl-3,5-dinitro-phenyl)thiophene-2-carboxamide Openeye Name: 4-[(3,5-dimethylphenoxy)methyl]-N-(4-methyl-3,5-dinitro-phenyl)thiophene-2-carboxamide CAS Name: 4-[(3,5-dimethylphenoxy)methyl]-N-(4-methyl-3,5-dinitrophenyl)-2-thiophenecarboxamide IUPAC Name: 4-[(3,5-dimethylphenoxy)methyl]-N-(4-methyl-3,5-dinitrophenyl)thiophene-2-carboxamide Traditional Name: 4-[(3,5-dimethylphenoxy)methyl]-N-(4-methyl-3,5-dinitro-phenyl)thiophene-2-carboxamide Formula: C21H19N3O6S MolecularWeight: 441.45706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC2=CSC(=C2)C(=O)NC3=CC(=C(C(=C3)[N+](=O)[O-])C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC2=CSC(=C2)C(=O)NC3=CC(=C(C(=C3)[N+](=O)[O-])C)[N+](=O)[O-])C

InChI

InChI=1S/C21H19N3O6S/c1-12-4-13(2)6-17(5-12)30-10-15-7-20(31-11-15)21(25)22-16-8-18(23(26)27)14(3)19(9-16)24(28)29/h4-9,11H,10H2,1-3H3,(H,22,25)