[1-oxidanylidene-1-[(4-piperidin-1-ylphenyl)amino]propan-2-yl] 3-methyl-4-nitro-benzoate

Systemtic Name: [1-oxidanylidene-1-[(4-piperidin-1-ylphenyl)amino]propan-2-yl] 3-methyl-4-nitro-benzoate Openeye Name: [1-methyl-2-oxo-2-[4-(1-piperidyl)anilino]ethyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [1-oxo-1-[4-(1-piperidinyl)anilino]propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [2-keto-1-methyl-2-(4-piperidinoanilino)ethyl] ester Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC(C)C(=O)NC2=CC=C(C=C2)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC(C)C(=O)NC2=CC=C(C=C2)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O5/c1-15-14-17(6-11-20(15)25(28)29)22(27)30-16(2)21(26)23-18-7-9-19(10-8-18)24-12-4-3-5-13-24/h6-11,14,16H,3-5,12-13H2,1-2H3,(H,23,26)