(E)-but-2-enedioic acid; 5-([1,3]dioxolo[4,5-g]isoquinolin-5-ylamino)pentan-1-ol; nitric acid

Systemtic Name: (E)-but-2-enedioic acid; 5-([1,3]dioxolo[4,5-g]isoquinolin-5-ylamino)pentan-1-ol; nitric acid Openeye Name: 5-([1,3]dioxolo[4,5-g]isoquinolin-5-ylamino)pentan-1-ol; fumaric acid; nitric acid CAS Name: (E)-2-butenedioic acid; 5-([1,3]dioxolo[4,5-g]isoquinolin-5-ylamino)-1-pentanol; nitric acid IUPAC Name: (E)-but-2-enedioic acid; 5-([1,3]dioxolo[4,5-g]isoquinolin-5-ylamino)pentan-1-ol; nitric acid Traditional Name: 5-([1,3]dioxol[4,5-g]isoquinolin-5-ylamino)pentan-1-ol; fumaric acid; nitric acid Formula: C19H23N3O10 MolecularWeight: 453.40002

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C3C(=C2)C=CN=C3NCCCCCO.C(=CC(=O)O)C(=O)O.[N+](=O)(O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C3C(=C2)C=CN=C3NCCCCCO.C(=C/C(=O)O)\C(=O)O.[N+](=O)(O)[O-]

InChI

InChI=1S/C15H18N2O3.C4H4O4.HNO3/c18-7-3-1-2-5-16-15-12-9-14-13(19-10-20-14)8-11(12)4-6-17-15;5-3(6)1-2-4(7)8;2-1(3)4/h4,6,8-9,18H,1-3,5,7,10H2,(H,16,17);1-2H,(H,5,6)(H,7,8);(H,2,3,4)/b;2-1+;