2-azanyl-3-bromanyl-5-nitro-benzenecarbonitrile; 2-(phenylmethyl)pyrazol-3-amine

Systemtic Name: 2-azanyl-3-bromanyl-5-nitro-benzenecarbonitrile; 2-(phenylmethyl)pyrazol-3-amine Openeye Name: 2-amino-3-bromo-5-nitro-benzonitrile; 2-benzylpyrazol-3-amine CAS Name: 2-amino-3-bromo-5-nitrobenzonitrile; 2-(phenylmethyl)-3-pyrazolamine IUPAC Name: 2-amino-3-bromo-5-nitrobenzonitrile; 2-benzylpyrazol-3-amine Traditional Name: 2-amino-3-bromo-5-nitro-benzonitrile; (2-benzylpyrazol-3-yl)amine Formula: C17H15BrN6O2 MolecularWeight: 415.244

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=CC=N2)N.C1=C(C=C(C(=C1Br)N)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=CC=N2)N.C1=C(C=C(C(=C1Br)N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C10H11N3.C7H4BrN3O2/c11-10-6-7-12-13(10)8-9-4-2-1-3-5-9;8-6-2-5(11(12)13)1-4(3-9)7(6)10/h1-7H,8,11H2;1-2H,10H2