methyl 1-[[4-(4-chloranyl-2-nitro-phenoxy)-3-methoxy-phenyl]carbonylamino]cyclohexane-1-carboxylate

Systemtic Name: methyl 1-[[4-(4-chloranyl-2-nitro-phenoxy)-3-methoxy-phenyl]carbonylamino]cyclohexane-1-carboxylate Openeye Name: methyl 1-[[4-(4-chloro-2-nitro-phenoxy)-3-methoxy-benzoyl]amino]cyclohexanecarboxylate CAS Name: 1-[[[4-(4-chloro-2-nitrophenoxy)-3-methoxyphenyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[[4-(4-chloro-2-nitrophenoxy)-3-methoxybenzoyl]amino]cyclohexane-1-carboxylate Traditional Name: 1-[[4-(4-chloro-2-nitro-phenoxy)-3-methoxy-benzoyl]amino]cyclohexanecarboxylic acid methyl ester Formula: C22H23ClN2O7 MolecularWeight: 462.88022

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)NC2(CCCCC2)C(=O)OC)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)NC2(CCCCC2)C(=O)OC)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H23ClN2O7/c1-30-19-12-14(20(26)24-22(21(27)31-2)10-4-3-5-11-22)6-8-18(19)32-17-9-7-15(23)13-16(17)25(28)29/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,24,26)