(E)-but-2-enedioic acid; 1-(7-methoxy-4H-indeno[1,2-c]pyrazol-1-yl)propan-2-amine

Systemtic Name: (E)-but-2-enedioic acid; 1-(7-methoxy-4H-indeno[1,2-c]pyrazol-1-yl)propan-2-amine Openeye Name: fumaric acid; 1-(7-methoxy-4H-indeno[1,2-c]pyrazol-1-yl)propan-2-amine CAS Name: (E)-2-butenedioic acid; 1-(7-methoxy-4H-indeno[1,2-c]pyrazol-1-yl)-2-propanamine IUPAC Name: (E)-but-2-enedioic acid; 1-(7-methoxy-4H-indeno[1,2-c]pyrazol-1-yl)propan-2-amine Traditional Name: fumaric acid; [2-(7-methoxy-4H-indeno[1,2-c]pyrazol-1-yl)-1-methyl-ethyl]amine Formula: C18H21N3O5 MolecularWeight: 359.37644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O.C4H4O4/c1-9(15)8-17-14-11(7-16-17)5-10-3-4-12(18-2)6-13(10)14;5-3(6)1-2-4(7)8/h3-4,6-7,9H,5,8,15H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+