ethyl 3-[(2-cyclopentyloxypyridin-3-yl)methylcarbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[(2-cyclopentyloxypyridin-3-yl)methylcarbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[2-(cyclopentoxy)-3-pyridyl]methylcarbamoyl]-5-nitro-benzoate CAS Name: 3-[[(2-cyclopentyloxy-3-pyridinyl)methylamino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[(2-cyclopentyloxypyridin-3-yl)methylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[[2-(cyclopentoxy)-3-pyridyl]methylcarbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCC2=C(N=CC=C2)OC3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCC2=C(N=CC=C2)OC3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O6/c1-2-29-21(26)16-10-15(11-17(12-16)24(27)28)19(25)23-13-14-6-5-9-22-20(14)30-18-7-3-4-8-18/h5-6,9-12,18H,2-4,7-8,13H2,1H3,(H,23,25)