4-[(4-methanoylpiperazin-1-ium-1-yl)methyl]-2-methoxy-6-nitro-phenolate

Systemtic Name: 4-[(4-methanoylpiperazin-1-ium-1-yl)methyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(4-formylpiperazin-1-ium-1-yl)methyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(4-formyl-1-piperazin-1-iumyl)methyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(4-formylpiperazin-1-ium-1-yl)methyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(4-formylpiperazin-1-ium-1-yl)methyl]-2-methoxy-6-nitro-phenolate Formula: C13H17N3O5 MolecularWeight: 295.29118

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C[NH+]2CCN(CC2)C=O

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C[NH+]2CCN(CC2)C=O

InChI

InChI=1S/C13H17N3O5/c1-21-12-7-10(6-11(13(12)18)16(19)20)8-14-2-4-15(9-17)5-3-14/h6-7,9,18H,2-5,8H2,1H3