5-(azepan-1-ylcarbonyl)-2-nitro-phenolate

Systemtic Name: 5-(azepan-1-ylcarbonyl)-2-nitro-phenolate Openeye Name: 5-(azepane-1-carbonyl)-2-nitro-phenolate CAS Name: 5-[1-azepanyl(oxo)methyl]-2-nitrophenolate IUPAC Name: 5-(azepane-1-carbonyl)-2-nitrophenolate Traditional Name: 5-(azepane-1-carbonyl)-2-nitro-phenolate Formula: C13H15N2O4- MolecularWeight: 263.2692

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC(=C(C=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC(=C(C=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C13H16N2O4/c16-12-9-10(5-6-11(12)15(18)19)13(17)14-7-3-1-2-4-8-14/h5-6,9,16H,1-4,7-8H2/p-1