ethyl 3-[[1-(furan-2-ylcarbonyl)piperidin-4-yl]carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[[1-(furan-2-ylcarbonyl)piperidin-4-yl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[1-(furan-2-carbonyl)-4-piperidyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[1-[2-furanyl(oxo)methyl]-4-piperidinyl]amino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[1-(furan-2-carbonyl)piperidin-4-yl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[1-(2-furoyl)-4-piperidyl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C20H21N3O7 MolecularWeight: 415.39664

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2CCN(CC2)C(=O)C3=CC=CO3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2CCN(CC2)C(=O)C3=CC=CO3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O7/c1-2-29-20(26)14-10-13(11-16(12-14)23(27)28)18(24)21-15-5-7-22(8-6-15)19(25)17-4-3-9-30-17/h3-4,9-12,15H,2,5-8H2,1H3,(H,21,24)