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

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yliminomethyl)-4-nitro-phenolate Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yliminomethyl)-4-nitro-phenolate CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yliminomethyl)-4-nitrophenolate IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yliminomethyl)-4-nitrophenolate Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yliminomethyl)-4-nitro-phenolate Formula: C16H13N2O5- MolecularWeight: 313.28482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O5/c19-14-4-3-13(18(20)21)8-11(14)10-17-12-2-5-15-16(9-12)23-7-1-6-22-15/h2-5,8-10,19H,1,6-7H2/p-1