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

Systemtic Name: 4-methyl-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]-4-methyl-3-nitro-aniline CAS Name: 4-methyl-N-[(1-methyl-3-propan-2-yl-4-pyrazolyl)methyl]-3-nitroaniline IUPAC Name: 4-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-3-nitroaniline Traditional Name: (3-isopropyl-1-methyl-pyrazol-4-yl)methyl-(4-methyl-3-nitro-phenyl)amine Formula: C15H20N4O2 MolecularWeight: 288.3449

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N4O2/c1-10(2)15-12(9-18(4)17-15)8-16-13-6-5-11(3)14(7-13)19(20)21/h5-7,9-10,16H,8H2,1-4H3