methyl 2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-5-nitro-benzoate

Systemtic Name: methyl 2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-5-nitro-benzoate Openeye Name: methyl 2-[3-(1,3-benzoxazol-2-yl)-1-piperidyl]-5-nitro-benzoate CAS Name: 2-[3-(1,3-benzoxazol-2-yl)-1-piperidinyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-5-nitrobenzoate Traditional Name: 2-[3-(1,3-benzoxazol-2-yl)piperidino]-5-nitro-benzoic acid methyl ester Formula: C20H19N3O5 MolecularWeight: 381.38196

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCCC(C2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCCC(C2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C20H19N3O5/c1-27-20(24)15-11-14(23(25)26)8-9-17(15)22-10-4-5-13(12-22)19-21-16-6-2-3-7-18(16)28-19/h2-3,6-9,11,13H,4-5,10,12H2,1H3