N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methyl-2-nitro-aniline

Systemtic Name: N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methyl-2-nitro-aniline Openeye Name: N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methyl-2-nitro-aniline CAS Name: N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methyl-2-nitroaniline IUPAC Name: N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methyl-2-nitroaniline Traditional Name: (3,5-dimethyl-1H-pyrazol-4-yl)methyl-(4-methyl-2-nitro-phenyl)amine Formula: C13H16N4O2 MolecularWeight: 260.29174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NCC2=C(NN=C2C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NCC2=C(NN=C2C)C)[N+](=O)[O-]

InChI

InChI=1S/C13H16N4O2/c1-8-4-5-12(13(6-8)17(18)19)14-7-11-9(2)15-16-10(11)3/h4-6,14H,7H2,1-3H3,(H,15,16)