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

Systemtic Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)-2-nitro-phenolate Openeye Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)-2-nitro-phenolate CAS Name: 5-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-oxomethyl]-2-nitrophenolate IUPAC Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)-2-nitrophenolate Traditional Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)-2-nitro-phenolate Formula: C16H13N2O6- MolecularWeight: 329.28422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O6/c19-13-8-10(2-4-12(13)18(21)22)16(20)17-11-3-5-14-15(9-11)24-7-1-6-23-14/h2-5,8-9,19H,1,6-7H2,(H,17,20)/p-1