hexyl 4-[(5-methyl-4-nitro-1H-pyrazol-3-yl)amino]benzoate

Systemtic Name: hexyl 4-[(5-methyl-4-nitro-1H-pyrazol-3-yl)amino]benzoate Openeye Name: hexyl 4-[(5-methyl-4-nitro-1H-pyrazol-3-yl)amino]benzoate CAS Name: 4-[(5-methyl-4-nitro-1H-pyrazol-3-yl)amino]benzoic acid hexyl ester IUPAC Name: hexyl 4-[(5-methyl-4-nitro-1H-pyrazol-3-yl)amino]benzoate Traditional Name: 4-[(5-methyl-4-nitro-1H-pyrazol-3-yl)amino]benzoic acid hexyl ester Formula: C17H22N4O4 MolecularWeight: 346.38098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CC=C(C=C1)NC2=NNC(=C2[N+](=O)[O-])C

Isomeric SMILES

CCCCCCOC(=O)C1=CC=C(C=C1)NC2=NNC(=C2[N+](=O)[O-])C

InChI

InChI=1S/C17H22N4O4/c1-3-4-5-6-11-25-17(22)13-7-9-14(10-8-13)18-16-15(21(23)24)12(2)19-20-16/h7-10H,3-6,11H2,1-2H3,(H2,18,19,20)