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

Systemtic Name: N-[(1-methyl-3-propan-2-yl-pyrazol-4-yl)methyl]-3-nitro-aniline Openeye Name: N-[(3-isopropyl-1-methyl-pyrazol-4-yl)methyl]-3-nitro-aniline CAS Name: N-[(1-methyl-3-propan-2-yl-4-pyrazolyl)methyl]-3-nitroaniline IUPAC Name: N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-3-nitroaniline Traditional Name: (3-isopropyl-1-methyl-pyrazol-4-yl)methyl-(3-nitrophenyl)amine Formula: C14H18N4O2 MolecularWeight: 274.31832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N4O2/c1-10(2)14-11(9-17(3)16-14)8-15-12-5-4-6-13(7-12)18(19)20/h4-7,9-10,15H,8H2,1-3H3