2-azanyl-3-bromanyl-5-nitro-benzenecarbonitrile; 3-[methyl(phenyl)amino]propanenitrile

Systemtic Name: 2-azanyl-3-bromanyl-5-nitro-benzenecarbonitrile; 3-[methyl(phenyl)amino]propanenitrile Openeye Name: 2-amino-3-bromo-5-nitro-benzonitrile; 3-(N-methylanilino)propanenitrile CAS Name: 2-amino-3-bromo-5-nitrobenzonitrile; 3-(N-methylanilino)propanenitrile IUPAC Name: 2-amino-3-bromo-5-nitrobenzonitrile; 3-(N-methylanilino)propanenitrile Traditional Name: 2-amino-3-bromo-5-nitro-benzonitrile; 3-(N-methylanilino)propionitrile Formula: C17H16BrN5O2 MolecularWeight: 402.24524

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C1=CC=CC=C1.C1=C(C=C(C(=C1Br)N)C#N)[N+](=O)[O-]

Isomeric SMILES

CN(CCC#N)C1=CC=CC=C1.C1=C(C=C(C(=C1Br)N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C10H12N2.C7H4BrN3O2/c1-12(9-5-8-11)10-6-3-2-4-7-10;8-6-2-5(11(12)13)1-4(3-9)7(6)10/h2-4,6-7H,5,9H2,1H3;1-2H,10H2