2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyliminomethyl]-4-nitro-phenolate

Systemtic Name: 2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyliminomethyl]-4-nitro-phenolate Openeye Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyliminomethyl]-4-nitro-phenolate CAS Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyliminomethyl]-4-nitrophenolate IUPAC Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyliminomethyl]-4-nitrophenolate Traditional Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyliminomethyl]-4-nitro-phenolate Formula: C17H14ClN2O5- MolecularWeight: 361.75646

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CN=CC3=C(C=CC(=C3)[N+](=O)[O-])[O-])Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CN=CC3=C(C=CC(=C3)[N+](=O)[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/h2-3,6-8,10,21H,1,4-5,9H2/p-1