N-[1-(4-tert-butylphenyl)ethyl]-4-chloranyl-3-nitro-1H-pyrazole-5-carboxamide

Systemtic Name: N-[1-(4-tert-butylphenyl)ethyl]-4-chloranyl-3-nitro-1H-pyrazole-5-carboxamide Openeye Name: N-[1-(4-tert-butylphenyl)ethyl]-4-chloro-3-nitro-1H-pyrazole-5-carboxamide CAS Name: N-[1-(4-tert-butylphenyl)ethyl]-4-chloro-3-nitro-1H-pyrazole-5-carboxamide IUPAC Name: N-[1-(4-tert-butylphenyl)ethyl]-4-chloro-3-nitro-1H-pyrazole-5-carboxamide Traditional Name: N-[1-(4-tert-butylphenyl)ethyl]-4-chloro-3-nitro-1H-pyrazole-5-carboxamide Formula: C16H19ClN4O3 MolecularWeight: 350.80006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C(C)(C)C)NC(=O)C2=C(C(=NN2)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C1=CC=C(C=C1)C(C)(C)C)NC(=O)C2=C(C(=NN2)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H19ClN4O3/c1-9(10-5-7-11(8-6-10)16(2,3)4)18-15(22)13-12(17)14(20-19-13)21(23)24/h5-9H,1-4H3,(H,18,22)(H,19,20)