N-[(Z)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylideneamino]-2,4-dinitro-aniline

Systemtic Name: N-[(Z)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylideneamino]-2,4-dinitro-aniline Openeye Name: N-[(Z)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylideneamino]-2,4-dinitro-aniline CAS Name: N-[(Z)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylideneamino]-2,4-dinitroaniline IUPAC Name: N-[(Z)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylideneamino]-2,4-dinitroaniline Traditional Name: [(Z)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylideneamino]-(2,4-dinitrophenyl)amine Formula: C17H16N4O6 MolecularWeight: 372.33214

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

C/C(=N/NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])/C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C17H16N4O6/c1-11(12-3-6-16-17(9-12)27-8-2-7-26-16)18-19-14-5-4-13(20(22)23)10-15(14)21(24)25/h3-6,9-10,19H,2,7-8H2,1H3/b18-11-