ethyl 2-[(3-nitrophenyl)-(2-piperidin-1-ium-1-ylethanoyl)amino]ethanoate

Systemtic Name: ethyl 2-[(3-nitrophenyl)-(2-piperidin-1-ium-1-ylethanoyl)amino]ethanoate Openeye Name: ethyl 2-(3-nitro-N-(2-piperidin-1-ium-1-ylacetyl)anilino)acetate CAS Name: 2-(3-nitro-N-[1-oxo-2-(1-piperidin-1-iumyl)ethyl]anilino)acetic acid ethyl ester IUPAC Name: ethyl 2-(3-nitro-N-(2-piperidin-1-ium-1-ylacetyl)anilino)acetate Traditional Name: 2-(3-nitro-N-(2-piperidin-1-ium-1-ylacetyl)anilino)acetic acid ethyl ester Formula: C17H24N3O5+ MolecularWeight: 350.38956

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C1=CC(=CC=C1)[N+](=O)[O-])C(=O)C[NH+]2CCCCC2

Isomeric SMILES

CCOC(=O)CN(C1=CC(=CC=C1)[N+](=O)[O-])C(=O)C[NH+]2CCCCC2

InChI

InChI=1S/C17H23N3O5/c1-2-25-17(22)13-19(14-7-6-8-15(11-14)20(23)24)16(21)12-18-9-4-3-5-10-18/h6-8,11H,2-5,9-10,12-13H2,1H3/p+1