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

Systemtic Name: (1-azanyl-1-oxidanylidene-propan-2-yl) 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: (2-amino-1-methyl-2-oxo-ethyl) 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid (1-amino-1-oxopropan-2-yl) ester IUPAC Name: (1-amino-1-oxopropan-2-yl) 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid (2-amino-2-keto-1-methyl-ethyl) ester Formula: C15H19N3O5 MolecularWeight: 321.32846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)OC(=O)C1=CC(=C(C=C1)N2CCCCC2)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N)OC(=O)C1=CC(=C(C=C1)N2CCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C15H19N3O5/c1-10(14(16)19)23-15(20)11-5-6-12(13(9-11)18(21)22)17-7-3-2-4-8-17/h5-6,9-10H,2-4,7-8H2,1H3,(H2,16,19)