[2-oxidanylidene-2-[(4-piperidin-1-ylphenyl)amino]ethyl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate

Systemtic Name: [2-oxidanylidene-2-[(4-piperidin-1-ylphenyl)amino]ethyl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: [2-oxo-2-[4-(1-piperidyl)anilino]ethyl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetate CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetic acid [2-oxo-2-[4-(1-piperidinyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetic acid [2-keto-2-(4-piperidinoanilino)ethyl] ester Formula: C20H25N5O5 MolecularWeight: 415.443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)OCC(=O)NC2=CC=C(C=C2)N3CCCCC3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)OCC(=O)NC2=CC=C(C=C2)N3CCCCC3)C)[N+](=O)[O-]

InChI

InChI=1S/C20H25N5O5/c1-14-20(25(28)29)15(2)24(22-14)12-19(27)30-13-18(26)21-16-6-8-17(9-7-16)23-10-4-3-5-11-23/h6-9H,3-5,10-13H2,1-2H3,(H,21,26)