4-(1,3-benzodioxol-5-yloxymethyl)-N-(4-methyl-3,5-dinitro-phenyl)thiophene-2-carboxamide

Systemtic Name: 4-(1,3-benzodioxol-5-yloxymethyl)-N-(4-methyl-3,5-dinitro-phenyl)thiophene-2-carboxamide Openeye Name: 4-(1,3-benzodioxol-5-yloxymethyl)-N-(4-methyl-3,5-dinitro-phenyl)thiophene-2-carboxamide CAS Name: 4-(1,3-benzodioxol-5-yloxymethyl)-N-(4-methyl-3,5-dinitrophenyl)-2-thiophenecarboxamide IUPAC Name: 4-(1,3-benzodioxol-5-yloxymethyl)-N-(4-methyl-3,5-dinitrophenyl)thiophene-2-carboxamide Traditional Name: 4-(1,3-benzodioxol-5-yloxymethyl)-N-(4-methyl-3,5-dinitro-phenyl)thiophene-2-carboxamide Formula: C20H15N3O8S MolecularWeight: 457.4134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])NC(=O)C2=CC(=CS2)COC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])NC(=O)C2=CC(=CS2)COC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C20H15N3O8S/c1-11-15(22(25)26)5-13(6-16(11)23(27)28)21-20(24)19-4-12(9-32-19)8-29-14-2-3-17-18(7-14)31-10-30-17/h2-7,9H,8,10H2,1H3,(H,21,24)