(E)-but-2-enedioic acid; 3-(2-dimethylaminoethyl)-1-[2-(4-nitrophenoxy)ethyl]-1-propan-2-yl-urea

Systemtic Name: (E)-but-2-enedioic acid; 3-(2-dimethylaminoethyl)-1-[2-(4-nitrophenoxy)ethyl]-1-propan-2-yl-urea Openeye Name: 3-(2-dimethylaminoethyl)-1-isopropyl-1-[2-(4-nitrophenoxy)ethyl]urea; fumaric acid CAS Name: (E)-2-butenedioic acid; 3-(2-dimethylaminoethyl)-1-[2-(4-nitrophenoxy)ethyl]-1-propan-2-ylurea IUPAC Name: (E)-but-2-enedioic acid; 3-(2-dimethylaminoethyl)-1-[2-(4-nitrophenoxy)ethyl]-1-propan-2-ylurea Traditional Name: 3-(2-dimethylaminoethyl)-1-isopropyl-1-[2-(4-nitrophenoxy)ethyl]urea; fumaric acid Formula: C20H30N4O8 MolecularWeight: 454.4742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCOC1=CC=C(C=C1)[N+](=O)[O-])C(=O)NCCN(C)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)N(CCOC1=CC=C(C=C1)[N+](=O)[O-])C(=O)NCCN(C)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H26N4O4.C4H4O4/c1-13(2)19(16(21)17-9-10-18(3)4)11-12-24-15-7-5-14(6-8-15)20(22)23;5-3(6)1-2-4(7)8/h5-8,13H,9-12H2,1-4H3,(H,17,21);1-2H,(H,5,6)(H,7,8)/b;2-1+