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

Systemtic Name: 3-methyl-5-[[4-(4-methylpiperidin-1-yl)-3-nitro-phenyl]carbonylamino]-2-oxidanyl-benzoate Openeye Name: 2-hydroxy-3-methyl-5-[[4-(4-methyl-1-piperidyl)-3-nitro-benzoyl]amino]benzoate CAS Name: 2-hydroxy-3-methyl-5-[[[4-(4-methyl-1-piperidinyl)-3-nitrophenyl]-oxomethyl]amino]benzoate IUPAC Name: 2-hydroxy-3-methyl-5-[[4-(4-methylpiperidin-1-yl)-3-nitrobenzoyl]amino]benzoate Traditional Name: 2-hydroxy-3-methyl-5-[[4-(4-methylpiperidino)-3-nitro-benzoyl]amino]benzoate Formula: C21H22N3O6- MolecularWeight: 412.41588

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC(=C(C(=C3)C(=O)[O-])O)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC(=C(C(=C3)C(=O)[O-])O)C)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O6/c1-12-5-7-23(8-6-12)17-4-3-14(10-18(17)24(29)30)20(26)22-15-9-13(2)19(25)16(11-15)21(27)28/h3-4,9-12,25H,5-8H2,1-2H3,(H,22,26)(H,27,28)/p-1