6-[[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]methylidene]-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]methylidene]-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one Formula: C17H15ClN2O5 MolecularWeight: 362.7644

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CNC=C3C=C(C=CC3=O)[N+](=O)[O-])Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CNC=C3C=C(C=CC3=O)[N+](=O)[O-])Cl)OC1

InChI

InChI=1S/C17H15ClN2O5/c18-14-6-11(7-16-17(14)25-5-1-4-24-16)9-19-10-12-8-13(20(22)23)2-3-15(12)21/h2-3,6-8,10,19H,1,4-5,9H2