methyl 3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)piperidin-1-yl]carbonyl-5-nitro-benzoate

Systemtic Name: methyl 3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)piperidin-1-yl]carbonyl-5-nitro-benzoate Openeye Name: methyl 3-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidine-1-carbonyl]-5-nitro-benzoate CAS Name: 3-[[4-[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]-1-piperidinyl]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidine-1-carbonyl]-5-nitrobenzoate Traditional Name: 3-[4-(2,3-dihydro-1,4-benzodioxin-6-carbonyl)piperidine-1-carbonyl]-5-nitro-benzoic acid methyl ester Formula: C23H22N2O8 MolecularWeight: 454.42938

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)N2CCC(CC2)C(=O)C3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)N2CCC(CC2)C(=O)C3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

InChI

InChI=1S/C23H22N2O8/c1-31-23(28)17-10-16(11-18(12-17)25(29)30)22(27)24-6-4-14(5-7-24)21(26)15-2-3-19-20(13-15)33-9-8-32-19/h2-3,10-14H,4-9H2,1H3