butan-2-ylphosphonic acid; 4-oxidanylidene-1H-[1,3]dioxolo[4,5-g]cinnoline-3-carboxamide

Systemtic Name: butan-2-ylphosphonic acid; 4-oxidanylidene-1H-[1,3]dioxolo[4,5-g]cinnoline-3-carboxamide Openeye Name: 4-oxo-1H-[1,3]dioxolo[4,5-g]cinnoline-3-carboxamide; sec-butylphosphonic acid CAS Name: butan-2-ylphosphonic acid; 4-oxo-1H-[1,3]dioxolo[4,5-g]cinnoline-3-carboxamide IUPAC Name: butan-2-ylphosphonic acid; 4-oxo-1H-[1,3]dioxolo[4,5-g]cinnoline-3-carboxamide Traditional Name: 4-keto-1H-[1,3]dioxolo[4,5-g]cinnoline-3-carboxamide; sec-butylphosphonic acid Formula: C14H18N3O7P MolecularWeight: 371.282381

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)P(=O)(O)O.C1OC2=C(O1)C=C3C(=C2)C(=O)C(=NN3)C(=O)N

Isomeric SMILES

CCC(C)P(=O)(O)O.C1OC2=C(O1)C=C3C(=C2)C(=O)C(=NN3)C(=O)N

InChI

InChI=1S/C10H7N3O4.C4H11O3P/c11-10(15)8-9(14)4-1-6-7(17-3-16-6)2-5(4)12-13-8;1-3-4(2)8(5,6)7/h1-2H,3H2,(H2,11,15)(H,12,14);4H,3H2,1-2H3,(H2,5,6,7)