(E)-but-2-enedioic acid; 1-[5-(ethylamino)-2-propan-2-yl-phenyl]urea

Systemtic Name: (E)-but-2-enedioic acid; 1-[5-(ethylamino)-2-propan-2-yl-phenyl]urea Openeye Name: [5-(ethylamino)-2-isopropyl-phenyl]urea; fumaric acid CAS Name: (E)-2-butenedioic acid; [5-(ethylamino)-2-propan-2-ylphenyl]urea IUPAC Name: (E)-but-2-enedioic acid; [5-(ethylamino)-2-propan-2-ylphenyl]urea Traditional Name: [5-(ethylamino)-2-isopropyl-phenyl]urea; fumaric acid Formula: C16H23N3O5 MolecularWeight: 337.37092

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=CC(=C(C=C1)C(C)C)NC(=O)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCNC1=CC(=C(C=C1)C(C)C)NC(=O)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C12H19N3O.C4H4O4/c1-4-14-9-5-6-10(8(2)3)11(7-9)15-12(13)16;5-3(6)1-2-4(7)8/h5-8,14H,4H2,1-3H3,(H3,13,15,16);1-2H,(H,5,6)(H,7,8)/b;2-1+