ethyl 3-[[2-(furan-2-yl)-2-piperidin-1-yl-ethyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[[2-(furan-2-yl)-2-piperidin-1-yl-ethyl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[2-(2-furyl)-2-(1-piperidyl)ethyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[2-(2-furanyl)-2-(1-piperidinyl)ethyl]amino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[2-(2-furyl)-2-piperidino-ethyl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C21H25N3O6 MolecularWeight: 415.4397

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCC(C2=CC=CO2)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCC(C2=CC=CO2)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O6/c1-2-29-21(26)16-11-15(12-17(13-16)24(27)28)20(25)22-14-18(19-7-6-10-30-19)23-8-4-3-5-9-23/h6-7,10-13,18H,2-5,8-9,14H2,1H3,(H,22,25)