(E)-but-2-enedioic acid; 1-(8-methoxybenzo[g]indazol-1-yl)propan-2-amine

Systemtic Name: (E)-but-2-enedioic acid; 1-(8-methoxybenzo[g]indazol-1-yl)propan-2-amine Openeye Name: fumaric acid; 1-(8-methoxybenzo[g]indazol-1-yl)propan-2-amine CAS Name: (E)-2-butenedioic acid; 1-(8-methoxy-1-benzo[g]indazolyl)-2-propanamine IUPAC Name: (E)-but-2-enedioic acid; 1-(8-methoxybenzo[g]indazol-1-yl)propan-2-amine Traditional Name: fumaric acid; [2-(8-methoxybenz[g]indazol-1-yl)-1-methyl-ethyl]amine Formula: C19H21N3O5 MolecularWeight: 371.38714

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C2=C(C=CC3=C2C=C(C=C3)OC)C=N1)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(CN1C2=C(C=CC3=C2C=C(C=C3)OC)C=N1)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H17N3O.C4H4O4/c1-10(16)9-18-15-12(8-17-18)4-3-11-5-6-13(19-2)7-14(11)15;5-3(6)1-2-4(7)8/h3-8,10H,9,16H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+