4-azanyl-3-nitro-benzenecarbonitrile; ethylphosphonic acid

Systemtic Name: 4-azanyl-3-nitro-benzenecarbonitrile; ethylphosphonic acid Openeye Name: 4-amino-3-nitro-benzonitrile; ethylphosphonic acid CAS Name: 4-amino-3-nitrobenzonitrile; ethylphosphonic acid IUPAC Name: 4-amino-3-nitrobenzonitrile; ethylphosphonic acid Traditional Name: 4-amino-3-nitro-benzonitrile; ethylphosphonic acid Formula: C9H12N3O5P MolecularWeight: 273.182441

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Descriptors Computed from Structure

Canonical SMILES:

CCP(=O)(O)O.C1=CC(=C(C=C1C#N)[N+](=O)[O-])N

Isomeric SMILES

CCP(=O)(O)O.C1=CC(=C(C=C1C#N)[N+](=O)[O-])N

InChI

InChI=1S/C7H5N3O2.C2H7O3P/c8-4-5-1-2-6(9)7(3-5)10(11)12;1-2-6(3,4)5/h1-3H,9H2;2H2,1H3,(H2,3,4,5)