[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl] 3-nitrobenzoate

Systemtic Name: [2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl] 3-nitrobenzoate Openeye Name: [2-[4-(1,3-benzoxazol-2-yl)-1-piperidyl]-2-oxo-ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-[4-(1,3-benzoxazol-2-yl)-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-[4-(1,3-benzoxazol-2-yl)piperidino]-2-keto-ethyl] ester Formula: C21H19N3O6 MolecularWeight: 409.39206

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=CC=CC=C3O2)C(=O)COC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3O2)C(=O)COC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O6/c25-19(13-29-21(26)15-4-3-5-16(12-15)24(27)28)23-10-8-14(9-11-23)20-22-17-6-1-2-7-18(17)30-20/h1-7,12,14H,8-11,13H2