4-bromanyl-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-3-nitro-1H-pyrazole-5-carboxamide

Systemtic Name: 4-bromanyl-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-3-nitro-1H-pyrazole-5-carboxamide Openeye Name: 4-bromo-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-3-nitro-1H-pyrazole-5-carboxamide CAS Name: 4-bromo-N-[1-[(2,4-dimethylphenoxy)methyl]-4-pyrazolyl]-3-nitro-1H-pyrazole-5-carboxamide IUPAC Name: 4-bromo-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-3-nitro-1H-pyrazole-5-carboxamide Traditional Name: 4-bromo-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-3-nitro-1H-pyrazole-5-carboxamide Formula: C16H15BrN6O4 MolecularWeight: 435.2321

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCN2C=C(C=N2)NC(=O)C3=C(C(=NN3)[N+](=O)[O-])Br)C

Isomeric SMILES

CC1=CC(=C(C=C1)OCN2C=C(C=N2)NC(=O)C3=C(C(=NN3)[N+](=O)[O-])Br)C

InChI

InChI=1S/C16H15BrN6O4/c1-9-3-4-12(10(2)5-9)27-8-22-7-11(6-18-22)19-16(24)14-13(17)15(21-20-14)23(25)26/h3-7H,8H2,1-2H3,(H,19,24)(H,20,21)