N-[(2-chloranyl-5-nitro-phenyl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine

Systemtic Name: N-[(2-chloranyl-5-nitro-phenyl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine Openeye Name: N-[(2-chloro-5-nitro-phenyl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine CAS Name: N-[(2-chloro-5-nitrophenyl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine IUPAC Name: N-[(2-chloro-5-nitrophenyl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine Traditional Name: (2-chloro-5-nitro-benzyl)-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]amine Formula: C12H14ClN5O2 MolecularWeight: 295.72486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=CN1C)NCC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C1=NN=CN1C)NCC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C12H14ClN5O2/c1-8(12-16-15-7-17(12)2)14-6-9-5-10(18(19)20)3-4-11(9)13/h3-5,7-8,14H,6H2,1-2H3