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

Systemtic Name: methyl 1-[4-(4-chloranyl-2-nitro-phenoxy)-3-methoxy-phenyl]carbonylpiperidine-4-carboxylate Openeye Name: methyl 1-[4-(4-chloro-2-nitro-phenoxy)-3-methoxy-benzoyl]piperidine-4-carboxylate CAS Name: 1-[[4-(4-chloro-2-nitrophenoxy)-3-methoxyphenyl]-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-(4-chloro-2-nitrophenoxy)-3-methoxybenzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-(4-chloro-2-nitro-phenoxy)-3-methoxy-benzoyl]isonipecotic acid methyl ester Formula: C21H21ClN2O7 MolecularWeight: 448.85364

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)N2CCC(CC2)C(=O)OC)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)N2CCC(CC2)C(=O)OC)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H21ClN2O7/c1-29-19-11-14(20(25)23-9-7-13(8-10-23)21(26)30-2)3-5-18(19)31-17-6-4-15(22)12-16(17)24(27)28/h3-6,11-13H,7-10H2,1-2H3