N-[(Z)-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylideneamino]-2,4-dinitro-aniline

Systemtic Name: N-[(Z)-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylideneamino]-2,4-dinitro-aniline Openeye Name: N-[(Z)-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyleneamino]-2,4-dinitro-aniline CAS Name: N-[(Z)-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylideneamino]-2,4-dinitroaniline IUPAC Name: N-[(Z)-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylideneamino]-2,4-dinitroaniline Traditional Name: [(Z)-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyleneamino]-(2,4-dinitrophenyl)amine Formula: C16H13ClN4O6 MolecularWeight: 392.75062

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C=NNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)/C=N\NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])Cl)OC1

InChI

InChI=1S/C16H13ClN4O6/c17-12-6-10(7-15-16(12)27-5-1-4-26-15)9-18-19-13-3-2-11(20(22)23)8-14(13)21(24)25/h2-3,6-9,19H,1,4-5H2/b18-9-