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

Systemtic Name: methyl 3-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]carbonyl-5-nitro-benzoate Openeye Name: methyl 3-[3-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-5-nitro-benzoate CAS Name: 3-[[3-(1,3-benzoxazol-2-yl)-1-piperidinyl]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[3-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-5-nitrobenzoate Traditional Name: 3-[3-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-5-nitro-benzoic acid methyl ester Formula: C21H19N3O6 MolecularWeight: 409.39206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O6/c1-29-21(26)15-9-14(10-16(11-15)24(27)28)20(25)23-8-4-5-13(12-23)19-22-17-6-2-3-7-18(17)30-19/h2-3,6-7,9-11,13H,4-5,8,12H2,1H3