5-(aminomethyl)-7-nitro-1,4-dihydroquinoxaline-2,3-dione; cyclopropylphosphonic acid

Systemtic Name: 5-(aminomethyl)-7-nitro-1,4-dihydroquinoxaline-2,3-dione; cyclopropylphosphonic acid Openeye Name: 5-(aminomethyl)-7-nitro-1,4-dihydroquinoxaline-2,3-dione; cyclopropylphosphonic acid CAS Name: 5-(aminomethyl)-7-nitro-1,4-dihydroquinoxaline-2,3-dione; cyclopropylphosphonic acid IUPAC Name: 5-(aminomethyl)-7-nitro-1,4-dihydroquinoxaline-2,3-dione; cyclopropylphosphonic acid Traditional Name: 5-(aminomethyl)-7-nitro-1,4-dihydroquinoxaline-2,3-quinone; cyclopropylphosphonic acid Formula: C12H15N4O7P MolecularWeight: 358.243861

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1P(=O)(O)O.C1=C(C=C(C2=C1NC(=O)C(=O)N2)CN)[N+](=O)[O-]

Isomeric SMILES

C1CC1P(=O)(O)O.C1=C(C=C(C2=C1NC(=O)C(=O)N2)CN)[N+](=O)[O-]

InChI

InChI=1S/C9H8N4O4.C3H7O3P/c10-3-4-1-5(13(16)17)2-6-7(4)12-9(15)8(14)11-6;4-7(5,6)3-1-2-3/h1-2H,3,10H2,(H,11,14)(H,12,15);3H,1-2H2,(H2,4,5,6)