methyl 2-[3-nitro-4-(4-oxidanylpiperidin-1-yl)phenyl]carbonylbenzoate

Systemtic Name: methyl 2-[3-nitro-4-(4-oxidanylpiperidin-1-yl)phenyl]carbonylbenzoate Openeye Name: methyl 2-[4-(4-hydroxy-1-piperidyl)-3-nitro-benzoyl]benzoate CAS Name: 2-[[4-(4-hydroxy-1-piperidinyl)-3-nitrophenyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(4-hydroxypiperidin-1-yl)-3-nitrobenzoyl]benzoate Traditional Name: 2-[4-(4-hydroxypiperidino)-3-nitro-benzoyl]benzoic acid methyl ester Formula: C20H20N2O6 MolecularWeight: 384.3826

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C(=O)C2=CC(=C(C=C2)N3CCC(CC3)O)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=CC=C1C(=O)C2=CC(=C(C=C2)N3CCC(CC3)O)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O6/c1-28-20(25)16-5-3-2-4-15(16)19(24)13-6-7-17(18(12-13)22(26)27)21-10-8-14(23)9-11-21/h2-7,12,14,23H,8-11H2,1H3