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

Systemtic Name: [2-oxidanylidene-2-[(4-phenylphenyl)amino]ethyl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: [2-oxo-2-(4-phenylanilino)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-phenylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylanilino)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-phenylanilino)ethyl] ester Formula: C21H20N4O5 MolecularWeight: 408.4073

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)OCC(=O)NC2=CC=C(C=C2)C3=CC=CC=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)OCC(=O)NC2=CC=C(C=C2)C3=CC=CC=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O5/c1-14-21(25(28)29)15(2)24(23-14)12-20(27)30-13-19(26)22-18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3,(H,22,26)