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

Systemtic Name: 3-methyl-4-[[2-(4-methylpiperidin-1-yl)-5-nitro-phenyl]carbonylamino]benzoate Openeye Name: 3-methyl-4-[[2-(4-methyl-1-piperidyl)-5-nitro-benzoyl]amino]benzoate CAS Name: 3-methyl-4-[[[2-(4-methyl-1-piperidinyl)-5-nitrophenyl]-oxomethyl]amino]benzoate IUPAC Name: 3-methyl-4-[[2-(4-methylpiperidin-1-yl)-5-nitrobenzoyl]amino]benzoate Traditional Name: 3-methyl-4-[[2-(4-methylpiperidino)-5-nitro-benzoyl]amino]benzoate Formula: C21H22N3O5- MolecularWeight: 396.41648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O5/c1-13-7-9-23(10-8-13)19-6-4-16(24(28)29)12-17(19)20(25)22-18-5-3-15(21(26)27)11-14(18)2/h3-6,11-13H,7-10H2,1-2H3,(H,22,25)(H,26,27)/p-1