6-tert-butyl-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: 6-tert-butyl-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: 6-tert-butyl-N-[(E)-(5-nitro-2-thienyl)methyleneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: 6-tert-butyl-N-[(E)-(5-nitro-2-thiophenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: 6-tert-butyl-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: 6-tert-butyl-N-[(E)-(5-nitro-2-thienyl)methyleneamino]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C18H19N3O5S MolecularWeight: 389.42556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)OCC(O2)C(=O)NN=CC3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)OCC(O2)C(=O)N/N=C/C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O5S/c1-18(2,3)11-4-6-13-14(8-11)26-15(10-25-13)17(22)20-19-9-12-5-7-16(27-12)21(23)24/h4-9,15H,10H2,1-3H3,(H,20,22)/b19-9+