2-methoxy-2-oxidanylidene-ethanoic acid; [4-(4-nitrophenyl)cyclohexyl]methanamine

Systemtic Name: 2-methoxy-2-oxidanylidene-ethanoic acid; [4-(4-nitrophenyl)cyclohexyl]methanamine Openeye Name: 2-methoxy-2-oxo-acetic acid; [4-(4-nitrophenyl)cyclohexyl]methanamine CAS Name: 2-methoxy-2-oxoacetic acid; [4-(4-nitrophenyl)cyclohexyl]methanamine IUPAC Name: 2-methoxy-2-oxoacetic acid; [4-(4-nitrophenyl)cyclohexyl]methanamine Traditional Name: 2-keto-2-methoxy-acetic acid; [4-(4-nitrophenyl)cyclohexyl]methylamine Formula: C16H22N2O6 MolecularWeight: 338.35568

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=O)O.C1CC(CCC1CN)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C(=O)O.C1CC(CCC1CN)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H18N2O2.C3H4O4/c14-9-10-1-3-11(4-2-10)12-5-7-13(8-6-12)15(16)17;1-7-3(6)2(4)5/h5-8,10-11H,1-4,9,14H2;1H3,(H,4,5)