4-chloranyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yliminomethyl)-6-nitro-phenolate

Systemtic Name: 4-chloranyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yliminomethyl)-6-nitro-phenolate Openeye Name: 4-chloro-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yliminomethyl)-6-nitro-phenolate CAS Name: 4-chloro-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yliminomethyl)-6-nitrophenolate IUPAC Name: 4-chloro-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yliminomethyl)-6-nitrophenolate Traditional Name: 4-chloro-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yliminomethyl)-6-nitro-phenolate Formula: C16H12ClN2O5- MolecularWeight: 347.72988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClN2O5/c17-11-6-10(16(20)13(7-11)19(21)22)9-18-12-2-3-14-15(8-12)24-5-1-4-23-14/h2-3,6-9,20H,1,4-5H2/p-1