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

Systemtic Name: 2-chloranyl-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-4-nitro-aniline Openeye Name: 2-chloro-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-4-nitro-aniline CAS Name: 2-chloro-N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-4-nitroaniline IUPAC Name: 2-chloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-nitroaniline Traditional Name: (2-chloro-4-nitro-phenyl)-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]amine Formula: C18H17ClN4O2 MolecularWeight: 356.80618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H17ClN4O2/c1-12-16(13(2)22(21-12)14-6-4-3-5-7-14)11-20-18-9-8-15(23(24)25)10-17(18)19/h3-10,20H,11H2,1-2H3