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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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