1-[(5-imidazol-1-yl-2,4-dinitro-phenyl)amino]ethylphosphonic acid

Systemtic Name: 1-[(5-imidazol-1-yl-2,4-dinitro-phenyl)amino]ethylphosphonic acid Openeye Name: 1-(5-imidazol-1-yl-2,4-dinitro-anilino)ethylphosphonic acid CAS Name: 1-[5-(1-imidazolyl)-2,4-dinitroanilino]ethylphosphonic acid IUPAC Name: 1-(5-imidazol-1-yl-2,4-dinitroanilino)ethylphosphonic acid Traditional Name: 1-(5-imidazol-1-yl-2,4-dinitro-anilino)ethylphosphonic acid Formula: C11H12N5O7P MolecularWeight: 357.216041

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Descriptors Computed from Structure

Canonical SMILES:

CC(NC1=C(C=C(C(=C1)N2C=CN=C2)[N+](=O)[O-])[N+](=O)[O-])P(=O)(O)O

Isomeric SMILES

CC(NC1=C(C=C(C(=C1)N2C=CN=C2)[N+](=O)[O-])[N+](=O)[O-])P(=O)(O)O

InChI

InChI=1S/C11H12N5O7P/c1-7(24(21,22)23)13-8-4-10(14-3-2-12-6-14)11(16(19)20)5-9(8)15(17)18/h2-7,13H,1H3,(H2,21,22,23)