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

Systemtic Name: 4-oxidanylidene-1H-[1,3]dioxolo[4,5-g]cinnoline-3-carboxamide; propylphosphonic acid Openeye Name: 4-oxo-1H-[1,3]dioxolo[4,5-g]cinnoline-3-carboxamide; propylphosphonic acid CAS Name: 4-oxo-1H-[1,3]dioxolo[4,5-g]cinnoline-3-carboxamide; propylphosphonic acid IUPAC Name: 4-oxo-1H-[1,3]dioxolo[4,5-g]cinnoline-3-carboxamide; propylphosphonic acid Traditional Name: 4-keto-1H-[1,3]dioxolo[4,5-g]cinnoline-3-carboxamide; propylphosphonic acid Formula: C13H16N3O7P MolecularWeight: 357.255801

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H7N3O4.C3H9O3P/c11-10(15)8-9(14)4-1-6-7(17-3-16-6)2-5(4)12-13-8;1-2-3-7(4,5)6/h1-2H,3H2,(H2,11,15)(H,12,14);2-3H2,1H3,(H2,4,5,6)