N-(2-butylphenyl)-4-chloranyl-3-nitro-1H-pyrazole-5-carboxamide

Systemtic Name: N-(2-butylphenyl)-4-chloranyl-3-nitro-1H-pyrazole-5-carboxamide Openeye Name: N-(2-butylphenyl)-4-chloro-3-nitro-1H-pyrazole-5-carboxamide CAS Name: N-(2-butylphenyl)-4-chloro-3-nitro-1H-pyrazole-5-carboxamide IUPAC Name: N-(2-butylphenyl)-4-chloro-3-nitro-1H-pyrazole-5-carboxamide Traditional Name: N-(2-butylphenyl)-4-chloro-3-nitro-1H-pyrazole-5-carboxamide Formula: C14H15ClN4O3 MolecularWeight: 322.7469

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC=C1NC(=O)C2=C(C(=NN2)[N+](=O)[O-])Cl

Isomeric SMILES

CCCCC1=CC=CC=C1NC(=O)C2=C(C(=NN2)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H15ClN4O3/c1-2-3-6-9-7-4-5-8-10(9)16-14(20)12-11(15)13(18-17-12)19(21)22/h4-5,7-8H,2-3,6H2,1H3,(H,16,20)(H,17,18)