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

Systemtic Name: 3-methyl-5-[(3-nitro-4-piperidin-1-yl-phenyl)carbonylamino]-2-oxidanyl-benzoate Openeye Name: 2-hydroxy-3-methyl-5-[[3-nitro-4-(1-piperidyl)benzoyl]amino]benzoate CAS Name: 2-hydroxy-3-methyl-5-[[[3-nitro-4-(1-piperidinyl)phenyl]-oxomethyl]amino]benzoate IUPAC Name: 2-hydroxy-3-methyl-5-[(3-nitro-4-piperidin-1-ylbenzoyl)amino]benzoate Traditional Name: 2-hydroxy-3-methyl-5-[(3-nitro-4-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=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])C(=O)[O-])O

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O6/c1-12-9-14(11-15(18(12)24)20(26)27)21-19(25)13-5-6-16(17(10-13)23(28)29)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