1-(2-azanylpropyl)-3-chloranyl-2H-indazol-6-one; (E)-but-2-enedioic acid

Systemtic Name: 1-(2-azanylpropyl)-3-chloranyl-2H-indazol-6-one; (E)-but-2-enedioic acid Openeye Name: 1-(2-aminopropyl)-3-chloro-2H-indazol-6-one; fumaric acid CAS Name: 1-(2-aminopropyl)-3-chloro-2H-indazol-6-one; (E)-2-butenedioic acid IUPAC Name: 1-(2-aminopropyl)-3-chloro-2H-indazol-6-one; (E)-but-2-enedioic acid Traditional Name: 1-(2-aminopropyl)-3-chloro-2H-indazol-6-one; fumaric acid Formula: C14H16ClN3O5 MolecularWeight: 341.74694

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C2=CC(=O)C=CC2=C(N1)Cl)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(CN1C2=CC(=O)C=CC2=C(N1)Cl)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C10H12ClN3O.C4H4O4/c1-6(12)5-14-9-4-7(15)2-3-8(9)10(11)13-14;5-3(6)1-2-4(7)8/h2-4,6,13H,5,12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+