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

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

CCCCN1C(=C(C(=N1)C)C(=O)NCCNC2=CC=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)C(=O)NCCNC2=CC=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H22ClN5O3/c1-3-4-11-22-16(18)15(12(2)21-22)17(24)20-10-9-19-13-5-7-14(8-6-13)23(25)26/h5-8,19H,3-4,9-11H2,1-2H3,(H,20,24)