3-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]-N-(2-methylphenyl)benzamide

Systemtic Name: 3-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]-N-(2-methylphenyl)benzamide Openeye Name: 3-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]-N-(o-tolyl)benzamide CAS Name: 3-[(4-bromo-3-nitro-1-pyrazolyl)methyl]-N-(2-methylphenyl)benzamide IUPAC Name: 3-[(4-bromo-3-nitropyrazol-1-yl)methyl]-N-(2-methylphenyl)benzamide Traditional Name: 3-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]-N-(o-tolyl)benzamide Formula: C18H15BrN4O3 MolecularWeight: 415.2407

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2=CC(=CC=C2)CN3C=C(C(=N3)[N+](=O)[O-])Br

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2=CC(=CC=C2)CN3C=C(C(=N3)[N+](=O)[O-])Br

InChI

InChI=1S/C18H15BrN4O3/c1-12-5-2-3-8-16(12)20-18(24)14-7-4-6-13(9-14)10-22-11-15(19)17(21-22)23(25)26/h2-9,11H,10H2,1H3,(H,20,24)