methyl 4-chloranyl-3-[(5-nitro-2-piperidin-1-yl-phenyl)carbonylamino]benzoate

Systemtic Name: methyl 4-chloranyl-3-[(5-nitro-2-piperidin-1-yl-phenyl)carbonylamino]benzoate Openeye Name: methyl 4-chloro-3-[[5-nitro-2-(1-piperidyl)benzoyl]amino]benzoate CAS Name: 4-chloro-3-[[[5-nitro-2-(1-piperidinyl)phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[(5-nitro-2-piperidin-1-ylbenzoyl)amino]benzoate Traditional Name: 4-chloro-3-[(5-nitro-2-piperidino-benzoyl)amino]benzoic acid methyl ester Formula: C20H20ClN3O5 MolecularWeight: 417.8429

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCC3

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCC3

InChI

InChI=1S/C20H20ClN3O5/c1-29-20(26)13-5-7-16(21)17(11-13)22-19(25)15-12-14(24(27)28)6-8-18(15)23-9-3-2-4-10-23/h5-8,11-12H,2-4,9-10H2,1H3,(H,22,25)