N-[(2-chloranyl-5-nitro-phenyl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine

Systemtic Name: N-[(2-chloranyl-5-nitro-phenyl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine Openeye Name: N-[(2-chloro-5-nitro-phenyl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine CAS Name: N-[(2-chloro-5-nitrophenyl)methyl]-1-(1,5-dimethyl-4-pyrazolyl)ethanamine IUPAC Name: N-[(2-chloro-5-nitrophenyl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine Traditional Name: (2-chloro-5-nitro-benzyl)-[1-(1,5-dimethylpyrazol-4-yl)ethyl]amine Formula: C14H17ClN4O2 MolecularWeight: 308.76338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)C(C)NCC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=NN1C)C(C)NCC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

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