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

Systemtic Name: 2-methyl-3-[(5-nitro-2-piperidin-1-yl-phenyl)carbonylamino]benzoate Openeye Name: 2-methyl-3-[[5-nitro-2-(1-piperidyl)benzoyl]amino]benzoate CAS Name: 2-methyl-3-[[[5-nitro-2-(1-piperidinyl)phenyl]-oxomethyl]amino]benzoate IUPAC Name: 2-methyl-3-[(5-nitro-2-piperidin-1-ylbenzoyl)amino]benzoate Traditional Name: 2-methyl-3-[(5-nitro-2-piperidino-benzoyl)amino]benzoate Formula: C20H20N3O5- MolecularWeight: 382.3899

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCC3)C(=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCC3)C(=O)[O-]

InChI

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