N-[1-(4-butan-2-ylphenyl)propyl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide

Systemtic Name: N-[1-(4-butan-2-ylphenyl)propyl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide Openeye Name: 3-methoxy-4-nitro-N-[1-(4-sec-butylphenyl)propyl]-1H-pyrazole-5-carboxamide CAS Name: N-[1-(4-butan-2-ylphenyl)propyl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide IUPAC Name: N-[1-(4-butan-2-ylphenyl)propyl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide Traditional Name: 3-methoxy-4-nitro-N-[1-(4-sec-butylphenyl)propyl]-1H-pyrazole-5-carboxamide Formula: C18H24N4O4 MolecularWeight: 360.40756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O4/c1-5-11(3)12-7-9-13(10-8-12)14(6-2)19-17(23)15-16(22(24)25)18(26-4)21-20-15/h7-11,14H,5-6H2,1-4H3,(H,19,23)(H,20,21)