N-[(E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)butylideneamino]-2,4-dinitro-aniline

Systemtic Name: N-[(E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)butylideneamino]-2,4-dinitro-aniline Openeye Name: N-[(E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)butylideneamino]-2,4-dinitro-aniline CAS Name: N-[(E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)butylideneamino]-2,4-dinitroaniline IUPAC Name: N-[(E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)butylideneamino]-2,4-dinitroaniline Traditional Name: [(E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)butylideneamino]-(2,4-dinitrophenyl)amine Formula: C18H18N4O6 MolecularWeight: 386.35872

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCC/C(=N\NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])/C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C18H18N4O6/c1-2-3-14(12-4-7-17-18(10-12)28-9-8-27-17)19-20-15-6-5-13(21(23)24)11-16(15)22(25)26/h4-7,10-11,20H,2-3,8-9H2,1H3/b19-14+