3-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]-N-propyl-benzamide

Systemtic Name: 3-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]-N-propyl-benzamide Openeye Name: 3-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]-N-propyl-benzamide CAS Name: 3-[(4-bromo-3-nitro-1-pyrazolyl)methyl]-N-propylbenzamide IUPAC Name: 3-[(4-bromo-3-nitropyrazol-1-yl)methyl]-N-propylbenzamide Traditional Name: 3-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]-N-propyl-benzamide Formula: C14H15BrN4O3 MolecularWeight: 367.1979

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC(=CC=C1)CN2C=C(C(=N2)[N+](=O)[O-])Br

Isomeric SMILES

CCCNC(=O)C1=CC(=CC=C1)CN2C=C(C(=N2)[N+](=O)[O-])Br

InChI

InChI=1S/C14H15BrN4O3/c1-2-6-16-14(20)11-5-3-4-10(7-11)8-18-9-12(15)13(17-18)19(21)22/h3-5,7,9H,2,6,8H2,1H3,(H,16,20)