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

Systemtic Name: [2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl] 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid [2-oxo-2-(2,4,6-trimethylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid (2-keto-2-mesidino-ethyl) ester Formula: C23H27N3O5 MolecularWeight: 425.47758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O5/c1-15-11-16(2)22(17(3)12-15)24-21(27)14-31-23(28)18-7-8-19(20(13-18)26(29)30)25-9-5-4-6-10-25/h7-8,11-13H,4-6,9-10,14H2,1-3H3,(H,24,27)