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

Systemtic Name: 3-methyl-5-[(5-nitro-2-piperidin-1-yl-phenyl)carbonylamino]-2-oxidanyl-benzoate Openeye Name: 2-hydroxy-3-methyl-5-[[5-nitro-2-(1-piperidyl)benzoyl]amino]benzoate CAS Name: 2-hydroxy-3-methyl-5-[[[5-nitro-2-(1-piperidinyl)phenyl]-oxomethyl]amino]benzoate IUPAC Name: 2-hydroxy-3-methyl-5-[(5-nitro-2-piperidin-1-ylbenzoyl)amino]benzoate Traditional Name: 2-hydroxy-3-methyl-5-[(5-nitro-2-piperidino-benzoyl)amino]benzoate Formula: C20H20N3O6- MolecularWeight: 398.3893

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCC3)C(=O)[O-])O

Isomeric SMILES

CC1=C(C(=CC(=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCC3)C(=O)[O-])O

InChI

InChI=1S/C20H21N3O6/c1-12-9-13(10-16(18(12)24)20(26)27)21-19(25)15-11-14(23(28)29)5-6-17(15)22-7-3-2-4-8-22/h5-6,9-11,24H,2-4,7-8H2,1H3,(H,21,25)(H,26,27)/p-1