2-bromanyl-N-[(1-methyl-3-propan-2-yl-pyrazol-4-yl)methyl]-4-nitro-aniline

Systemtic Name: 2-bromanyl-N-[(1-methyl-3-propan-2-yl-pyrazol-4-yl)methyl]-4-nitro-aniline Openeye Name: 2-bromo-N-[(3-isopropyl-1-methyl-pyrazol-4-yl)methyl]-4-nitro-aniline CAS Name: 2-bromo-N-[(1-methyl-3-propan-2-yl-4-pyrazolyl)methyl]-4-nitroaniline IUPAC Name: 2-bromo-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-4-nitroaniline Traditional Name: (2-bromo-4-nitro-phenyl)-[(3-isopropyl-1-methyl-pyrazol-4-yl)methyl]amine Formula: C14H17BrN4O2 MolecularWeight: 353.21438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN(C=C1CNC2=C(C=C(C=C2)[N+](=O)[O-])Br)C

Isomeric SMILES

CC(C)C1=NN(C=C1CNC2=C(C=C(C=C2)[N+](=O)[O-])Br)C

InChI

InChI=1S/C14H17BrN4O2/c1-9(2)14-10(8-18(3)17-14)7-16-13-5-4-11(19(20)21)6-12(13)15/h4-6,8-9,16H,7H2,1-3H3