3-(4-bromanyl-5-methyl-pyrazol-1-yl)-N-(4-methyl-3,5-dinitro-phenyl)propanamide

Systemtic Name: 3-(4-bromanyl-5-methyl-pyrazol-1-yl)-N-(4-methyl-3,5-dinitro-phenyl)propanamide Openeye Name: 3-(4-bromo-5-methyl-pyrazol-1-yl)-N-(4-methyl-3,5-dinitro-phenyl)propanamide CAS Name: 3-(4-bromo-5-methyl-1-pyrazolyl)-N-(4-methyl-3,5-dinitrophenyl)propanamide IUPAC Name: 3-(4-bromo-5-methylpyrazol-1-yl)-N-(4-methyl-3,5-dinitrophenyl)propanamide Traditional Name: 3-(4-bromo-5-methyl-pyrazol-1-yl)-N-(4-methyl-3,5-dinitro-phenyl)propionamide Formula: C14H14BrN5O5 MolecularWeight: 412.19546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])NC(=O)CCN2C(=C(C=N2)Br)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])NC(=O)CCN2C(=C(C=N2)Br)C)[N+](=O)[O-]

InChI

InChI=1S/C14H14BrN5O5/c1-8-12(19(22)23)5-10(6-13(8)20(24)25)17-14(21)3-4-18-9(2)11(15)7-16-18/h5-7H,3-4H2,1-2H3,(H,17,21)