N-(1,3-benzoxazol-2-ylmethyl)-1-(2-chloranyl-5-nitro-phenyl)-N-methyl-methanamine

Systemtic Name: N-(1,3-benzoxazol-2-ylmethyl)-1-(2-chloranyl-5-nitro-phenyl)-N-methyl-methanamine Openeye Name: N-(1,3-benzoxazol-2-ylmethyl)-1-(2-chloro-5-nitro-phenyl)-N-methyl-methanamine CAS Name: N-(1,3-benzoxazol-2-ylmethyl)-1-(2-chloro-5-nitrophenyl)-N-methylmethanamine IUPAC Name: N-(1,3-benzoxazol-2-ylmethyl)-1-(2-chloro-5-nitrophenyl)-N-methylmethanamine Traditional Name: 1,3-benzoxazol-2-ylmethyl-(2-chloro-5-nitro-benzyl)-methyl-amine Formula: C16H14ClN3O3 MolecularWeight: 331.75366

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)CC2=NC3=CC=CC=C3O2

Isomeric SMILES

CN(CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)CC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C16H14ClN3O3/c1-19(9-11-8-12(20(21)22)6-7-13(11)17)10-16-18-14-4-2-3-5-15(14)23-16/h2-8H,9-10H2,1H3