2-chloranyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-nitro-aniline

Systemtic Name: 2-chloranyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-nitro-aniline Openeye Name: 2-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-nitro-aniline CAS Name: 2-chloro-N-[3-(3,5-dimethyl-1-pyrazolyl)propyl]-4-nitroaniline IUPAC Name: 2-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-nitroaniline Traditional Name: (2-chloro-4-nitro-phenyl)-[3-(3,5-dimethylpyrazol-1-yl)propyl]amine Formula: C14H17ClN4O2 MolecularWeight: 308.76338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCNC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C

Isomeric SMILES

CC1=CC(=NN1CCCNC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C

InChI

InChI=1S/C14H17ClN4O2/c1-10-8-11(2)18(17-10)7-3-6-16-14-5-4-12(19(20)21)9-13(14)15/h4-5,8-9,16H,3,6-7H2,1-2H3