1-(4-bromanyl-3-nitro-phenyl)-N-(pyridin-3-ylmethyl)methanamine

Systemtic Name: 1-(4-bromanyl-3-nitro-phenyl)-N-(pyridin-3-ylmethyl)methanamine Openeye Name: 1-(4-bromo-3-nitro-phenyl)-N-(3-pyridylmethyl)methanamine CAS Name: 1-(4-bromo-3-nitrophenyl)-N-(3-pyridinylmethyl)methanamine IUPAC Name: 1-(4-bromo-3-nitrophenyl)-N-(pyridin-3-ylmethyl)methanamine Traditional Name: (4-bromo-3-nitro-benzyl)-(3-pyridylmethyl)amine Formula: C13H12BrN3O2 MolecularWeight: 322.15728

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNCC2=CC(=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CN=C1)CNCC2=CC(=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C13H12BrN3O2/c14-12-4-3-10(6-13(12)17(18)19)7-16-9-11-2-1-5-15-8-11/h1-6,8,16H,7,9H2