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

Systemtic Name: methyl 4-[(5-nitro-2-piperidin-1-yl-phenyl)carbonylamino]benzoate Openeye Name: methyl 4-[[5-nitro-2-(1-piperidyl)benzoyl]amino]benzoate CAS Name: 4-[[[5-nitro-2-(1-piperidinyl)phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-nitro-2-piperidin-1-ylbenzoyl)amino]benzoate Traditional Name: 4-[(5-nitro-2-piperidino-benzoyl)amino]benzoic acid methyl ester Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O5/c1-28-20(25)14-5-7-15(8-6-14)21-19(24)17-13-16(23(26)27)9-10-18(17)22-11-3-2-4-12-22/h5-10,13H,2-4,11-12H2,1H3,(H,21,24)