(3S)-N-[(E)-1-(4-nitrothiophen-2-yl)ethylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: (3S)-N-[(E)-1-(4-nitrothiophen-2-yl)ethylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: (3S)-N-[(E)-1-(4-nitro-2-thienyl)ethylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: (3S)-N-[(E)-1-(4-nitro-2-thiophenyl)ethylideneamino]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: (3S)-N-[(E)-1-(4-nitrothiophen-2-yl)ethylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: (3S)-N-[(E)-1-(4-nitro-2-thienyl)ethylideneamino]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C15H13N3O5S MolecularWeight: 347.34582

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1COC2=CC=CC=C2O1)C3=CC(=CS3)[N+](=O)[O-]

Isomeric SMILES

C/C(=N\NC(=O)[C@@H]1COC2=CC=CC=C2O1)/C3=CC(=CS3)[N+](=O)[O-]

InChI

InChI=1S/C15H13N3O5S/c1-9(14-6-10(8-24-14)18(20)21)16-17-15(19)13-7-22-11-4-2-3-5-12(11)23-13/h2-6,8,13H,7H2,1H3,(H,17,19)/b16-9+/t13-/m0/s1