methyl 3-[(1-cyclohexylcarbonylpiperidin-4-yl)carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[(1-cyclohexylcarbonylpiperidin-4-yl)carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[1-(cyclohexanecarbonyl)-4-piperidyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[1-[cyclohexyl(oxo)methyl]-4-piperidinyl]amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[1-(cyclohexanecarbonyl)piperidin-4-yl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[1-(cyclohexanecarbonyl)-4-piperidyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C21H27N3O6 MolecularWeight: 417.45558

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NC2CCN(CC2)C(=O)C3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NC2CCN(CC2)C(=O)C3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H27N3O6/c1-30-21(27)16-11-15(12-18(13-16)24(28)29)19(25)22-17-7-9-23(10-8-17)20(26)14-5-3-2-4-6-14/h11-14,17H,2-10H2,1H3,(H,22,25)