ethyl 4-[[3-nitro-4-(oxolan-2-ylmethylamino)phenyl]carbonylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[3-nitro-4-(oxolan-2-ylmethylamino)phenyl]carbonylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[3-nitro-4-(tetrahydrofuran-2-ylmethylamino)benzoyl]amino]piperidine-1-carboxylate CAS Name: 4-[[[3-nitro-4-(2-oxolanylmethylamino)phenyl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[3-nitro-4-(oxolan-2-ylmethylamino)benzoyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[3-nitro-4-(tetrahydrofurfurylamino)benzoyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C20H28N4O6 MolecularWeight: 420.45952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C2=CC(=C(C=C2)NCC3CCCO3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C2=CC(=C(C=C2)NCC3CCCO3)[N+](=O)[O-]

InChI

InChI=1S/C20H28N4O6/c1-2-29-20(26)23-9-7-15(8-10-23)22-19(25)14-5-6-17(18(12-14)24(27)28)21-13-16-4-3-11-30-16/h5-6,12,15-16,21H,2-4,7-11,13H2,1H3,(H,22,25)