4-bromanyl-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-3-nitro-benzamide

Systemtic Name: 4-bromanyl-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-3-nitro-benzamide Openeye Name: 4-bromo-N-[3,5-dimethyl-1-(p-tolyl)pyrazol-4-yl]-3-nitro-benzamide CAS Name: 4-bromo-N-[3,5-dimethyl-1-(4-methylphenyl)-4-pyrazolyl]-3-nitrobenzamide IUPAC Name: 4-bromo-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-3-nitrobenzamide Traditional Name: 4-bromo-N-[3,5-dimethyl-1-(p-tolyl)pyrazol-4-yl]-3-nitro-benzamide Formula: C19H17BrN4O3 MolecularWeight: 429.26728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)NC(=O)C3=CC(=C(C=C3)Br)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)NC(=O)C3=CC(=C(C=C3)Br)[N+](=O)[O-])C

InChI

InChI=1S/C19H17BrN4O3/c1-11-4-7-15(8-5-11)23-13(3)18(12(2)22-23)21-19(25)14-6-9-16(20)17(10-14)24(26)27/h4-10H,1-3H3,(H,21,25)