4-[[[2-(3-nitrophenoxy)pyridin-3-yl]carbonylamino]methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[[2-(3-nitrophenoxy)pyridin-3-yl]carbonylamino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[[2-(3-nitrophenoxy)pyridine-3-carbonyl]amino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[[[2-(3-nitrophenoxy)-3-pyridinyl]-oxomethyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[[2-(3-nitrophenoxy)pyridine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[[2-(3-nitrophenoxy)nicotinoyl]amino]methyl]cyclohexanecarboxylic acid Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CNC(=O)C2=C(N=CC=C2)OC3=CC=CC(=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CC(CCC1CNC(=O)C2=C(N=CC=C2)OC3=CC=CC(=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C20H21N3O6/c24-18(22-12-13-6-8-14(9-7-13)20(25)26)17-5-2-10-21-19(17)29-16-4-1-3-15(11-16)23(27)28/h1-5,10-11,13-14H,6-9,12H2,(H,22,24)(H,25,26)