4-nitro-2-(2-piperidin-1-ium-1-ylethanoylamino)phenolate

Systemtic Name: 4-nitro-2-(2-piperidin-1-ium-1-ylethanoylamino)phenolate Openeye Name: 4-nitro-2-[(2-piperidin-1-ium-1-ylacetyl)amino]phenolate CAS Name: 4-nitro-2-[[1-oxo-2-(1-piperidin-1-iumyl)ethyl]amino]phenolate IUPAC Name: 4-nitro-2-[(2-piperidin-1-ium-1-ylacetyl)amino]phenolate Traditional Name: 4-nitro-2-[(2-piperidin-1-ium-1-ylacetyl)amino]phenolate Formula: C13H17N3O4 MolecularWeight: 279.29178

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

C1CC[NH+](CC1)CC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C13H17N3O4/c17-12-5-4-10(16(19)20)8-11(12)14-13(18)9-15-6-2-1-3-7-15/h4-5,8,17H,1-3,6-7,9H2,(H,14,18)