4-bromanyl-N-[5-methyl-2-(phenylmethyl)pyrazol-3-yl]-3-nitro-benzamide

Systemtic Name: 4-bromanyl-N-[5-methyl-2-(phenylmethyl)pyrazol-3-yl]-3-nitro-benzamide Openeye Name: N-(2-benzyl-5-methyl-pyrazol-3-yl)-4-bromo-3-nitro-benzamide CAS Name: 4-bromo-N-[5-methyl-2-(phenylmethyl)-3-pyrazolyl]-3-nitrobenzamide IUPAC Name: N-(2-benzyl-5-methylpyrazol-3-yl)-4-bromo-3-nitrobenzamide Traditional Name: N-(2-benzyl-5-methyl-pyrazol-3-yl)-4-bromo-3-nitro-benzamide Formula: C18H15BrN4O3 MolecularWeight: 415.2407

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-])CC3=CC=CC=C3

InChI

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