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

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: (2-amino-2-oxo-ethyl) 4-(4-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(4-methyl-1-piperidinyl)-3-nitrobenzoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 4-(4-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(4-methylpiperidino)-3-nitro-benzoic acid (2-amino-2-keto-ethyl) ester Formula: C15H19N3O5 MolecularWeight: 321.32846

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C15H19N3O5/c1-10-4-6-17(7-5-10)12-3-2-11(8-13(12)18(21)22)15(20)23-9-14(16)19/h2-3,8,10H,4-7,9H2,1H3,(H2,16,19)