5-chloranyl-3-methyl-1-(2-methylpropyl)-N-[2-[(4-nitrophenyl)amino]ethyl]pyrazole-4-carboxamide

Systemtic Name: 5-chloranyl-3-methyl-1-(2-methylpropyl)-N-[2-[(4-nitrophenyl)amino]ethyl]pyrazole-4-carboxamide Openeye Name: 5-chloro-1-isobutyl-3-methyl-N-[2-(4-nitroanilino)ethyl]pyrazole-4-carboxamide CAS Name: 5-chloro-3-methyl-1-(2-methylpropyl)-N-[2-(4-nitroanilino)ethyl]-4-pyrazolecarboxamide IUPAC Name: 5-chloro-3-methyl-1-(2-methylpropyl)-N-[2-(4-nitroanilino)ethyl]pyrazole-4-carboxamide Traditional Name: 5-chloro-1-isobutyl-3-methyl-N-[2-(4-nitroanilino)ethyl]pyrazole-4-carboxamide Formula: C17H22ClN5O3 MolecularWeight: 379.84128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NCCNC2=CC=C(C=C2)[N+](=O)[O-])Cl)CC(C)C

Isomeric SMILES

CC1=NN(C(=C1C(=O)NCCNC2=CC=C(C=C2)[N+](=O)[O-])Cl)CC(C)C

InChI

InChI=1S/C17H22ClN5O3/c1-11(2)10-22-16(18)15(12(3)21-22)17(24)20-9-8-19-13-4-6-14(7-5-13)23(25)26/h4-7,11,19H,8-10H2,1-3H3,(H,20,24)