(2-oxidanylidene-2-piperidin-1-yl-ethyl) 4-azanyl-3-nitro-benzoate

Systemtic Name: (2-oxidanylidene-2-piperidin-1-yl-ethyl) 4-azanyl-3-nitro-benzoate Openeye Name: [2-oxo-2-(1-piperidyl)ethyl] 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [2-oxo-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-2-piperidin-1-ylethyl) 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid (2-keto-2-piperidino-ethyl) ester Formula: C14H17N3O5 MolecularWeight: 307.30188

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)COC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C(=O)COC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-]

InChI

InChI=1S/C14H17N3O5/c15-11-5-4-10(8-12(11)17(20)21)14(19)22-9-13(18)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7,9,15H2