2-bromanyl-4-nitro-aniline; N-(phenylmethyl)pyrazol-1-amine

Systemtic Name: 2-bromanyl-4-nitro-aniline; N-(phenylmethyl)pyrazol-1-amine Openeye Name: N-benzylpyrazol-1-amine; 2-bromo-4-nitro-aniline CAS Name: 2-bromo-4-nitroaniline; N-(phenylmethyl)-1-pyrazolamine IUPAC Name: N-benzylpyrazol-1-amine; 2-bromo-4-nitroaniline Traditional Name: benzyl(pyrazol-1-yl)amine; (2-bromo-4-nitro-phenyl)amine Formula: C16H16BrN5O2 MolecularWeight: 390.23454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNN2C=CC=N2.C1=CC(=C(C=C1[N+](=O)[O-])Br)N

Isomeric SMILES

C1=CC=C(C=C1)CNN2C=CC=N2.C1=CC(=C(C=C1[N+](=O)[O-])Br)N

InChI

InChI=1S/C10H11N3.C6H5BrN2O2/c1-2-5-10(6-3-1)9-12-13-8-4-7-11-13;7-5-3-4(9(10)11)1-2-6(5)8/h1-8,12H,9H2;1-3H,8H2