N-[(E)-6,9-dioxa-2-thiaspiro[4.4]nonan-4-ylmethylideneamino]-2,4-dinitro-aniline

Systemtic Name: N-[(E)-6,9-dioxa-2-thiaspiro[4.4]nonan-4-ylmethylideneamino]-2,4-dinitro-aniline Openeye Name: N-[(E)-6,9-dioxa-2-thiaspiro[4.4]nonan-4-ylmethyleneamino]-2,4-dinitro-aniline CAS Name: N-[(E)-6,9-dioxa-2-thiaspiro[4.4]nonan-4-ylmethylideneamino]-2,4-dinitroaniline IUPAC Name: N-[(E)-6,9-dioxa-2-thiaspiro[4.4]nonan-4-ylmethylideneamino]-2,4-dinitroaniline Traditional Name: (2,4-dinitrophenyl)-[(E)-6,9-dioxa-2-thiaspiro[4.4]nonan-4-ylmethyleneamino]amine Formula: C13H14N4O6S MolecularWeight: 354.33846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2(O1)CSCC2C=NNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1COC2(O1)CSCC2/C=N/NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H14N4O6S/c18-16(19)10-1-2-11(12(5-10)17(20)21)15-14-6-9-7-24-8-13(9)22-3-4-23-13/h1-2,5-6,9,15H,3-4,7-8H2/b14-6+