ethyl 4-[1-azanyl-3-(5-nitro-2-piperidin-1-yl-phenyl)-1-oxidanylidene-hexan-2-yl]benzoate

Systemtic Name: ethyl 4-[1-azanyl-3-(5-nitro-2-piperidin-1-yl-phenyl)-1-oxidanylidene-hexan-2-yl]benzoate Openeye Name: ethyl 4-[1-carbamoyl-2-[5-nitro-2-(1-piperidyl)phenyl]pentyl]benzoate CAS Name: 4-[1-amino-3-[5-nitro-2-(1-piperidinyl)phenyl]-1-oxohexan-2-yl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[1-amino-3-(5-nitro-2-piperidin-1-ylphenyl)-1-oxohexan-2-yl]benzoate Traditional Name: 4-[1-carbamoyl-2-(5-nitro-2-piperidino-phenyl)pentyl]benzoic acid ethyl ester Formula: C26H33N3O5 MolecularWeight: 467.55732

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=C(C=CC(=C1)[N+](=O)[O-])N2CCCCC2)C(C3=CC=C(C=C3)C(=O)OCC)C(=O)N

Isomeric SMILES

CCCC(C1=C(C=CC(=C1)[N+](=O)[O-])N2CCCCC2)C(C3=CC=C(C=C3)C(=O)OCC)C(=O)N

InChI

InChI=1S/C26H33N3O5/c1-3-8-21(24(25(27)30)18-9-11-19(12-10-18)26(31)34-4-2)22-17-20(29(32)33)13-14-23(22)28-15-6-5-7-16-28/h9-14,17,21,24H,3-8,15-16H2,1-2H3,(H2,27,30)