[4-oxidanylidene-4-[(2,4,6-trimethylphenyl)amino]butyl] 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: [4-oxidanylidene-4-[(2,4,6-trimethylphenyl)amino]butyl] 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: [4-oxo-4-(2,4,6-trimethylanilino)butyl] 4-(4-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(4-methyl-1-piperidinyl)-3-nitrobenzoic acid [4-oxo-4-(2,4,6-trimethylanilino)butyl] ester IUPAC Name: [4-oxo-4-(2,4,6-trimethylanilino)butyl] 4-(4-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(4-methylpiperidino)-3-nitro-benzoic acid (4-keto-4-mesidino-butyl) ester Formula: C26H33N3O5 MolecularWeight: 467.55732

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCCCC(=O)NC3=C(C=C(C=C3C)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCCCC(=O)NC3=C(C=C(C=C3C)C)C)[N+](=O)[O-]

InChI

InChI=1S/C26H33N3O5/c1-17-9-11-28(12-10-17)22-8-7-21(16-23(22)29(32)33)26(31)34-13-5-6-24(30)27-25-19(3)14-18(2)15-20(25)4/h7-8,14-17H,5-6,9-13H2,1-4H3,(H,27,30)