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

Systemtic Name: (2-benzamido-2-oxidanylidene-ethyl) 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: (2-benzamido-2-oxo-ethyl) 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid (2-benzamido-2-oxoethyl) ester IUPAC Name: (2-benzamido-2-oxoethyl) 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid (2-benzamido-2-keto-ethyl) ester Formula: C21H21N3O6 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O6/c25-19(22-20(26)15-7-3-1-4-8-15)14-30-21(27)16-9-10-17(18(13-16)24(28)29)23-11-5-2-6-12-23/h1,3-4,7-10,13H,2,5-6,11-12,14H2,(H,22,25,26)