2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-nitro-aniline

Systemtic Name: 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-nitro-aniline Openeye Name: 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-nitro-aniline CAS Name: 2-methyl-N-[(1-methyl-4-pyrazolyl)methyl]-5-nitroaniline IUPAC Name: 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-nitroaniline Traditional Name: (2-methyl-5-nitro-phenyl)-[(1-methylpyrazol-4-yl)methyl]amine Formula: C12H14N4O2 MolecularWeight: 246.26516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NCC2=CN(N=C2)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NCC2=CN(N=C2)C

InChI

InChI=1S/C12H14N4O2/c1-9-3-4-11(16(17)18)5-12(9)13-6-10-7-14-15(2)8-10/h3-5,7-8,13H,6H2,1-2H3