2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-[2-[(4-nitrophenyl)amino]ethyl]ethanamide

Systemtic Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-[2-[(4-nitrophenyl)amino]ethyl]ethanamide Openeye Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-[2-(4-nitroanilino)ethyl]acetamide CAS Name: 2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-N-[2-(4-nitroanilino)ethyl]acetamide IUPAC Name: 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-(4-nitroanilino)ethyl]acetamide Traditional Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-[2-(4-nitroanilino)ethyl]acetamide Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)NCCNC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)NCCNC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O3/c1-15-20(16(2)25(24-15)18-6-4-3-5-7-18)14-21(27)23-13-12-22-17-8-10-19(11-9-17)26(28)29/h3-11,22H,12-14H2,1-2H3,(H,23,27)