(E)-but-2-enedioic acid; 1-[2-methoxy-3-(5-methyl-2-nitro-phenoxy)phenyl]-N-methyl-methanamine

Systemtic Name: (E)-but-2-enedioic acid; 1-[2-methoxy-3-(5-methyl-2-nitro-phenoxy)phenyl]-N-methyl-methanamine Openeye Name: fumaric acid; 1-[2-methoxy-3-(5-methyl-2-nitro-phenoxy)phenyl]-N-methyl-methanamine CAS Name: (E)-2-butenedioic acid; 1-[2-methoxy-3-(5-methyl-2-nitrophenoxy)phenyl]-N-methylmethanamine IUPAC Name: (E)-but-2-enedioic acid; 1-[2-methoxy-3-(5-methyl-2-nitrophenoxy)phenyl]-N-methylmethanamine Traditional Name: fumaric acid; [2-methoxy-3-(5-methyl-2-nitro-phenoxy)benzyl]-methyl-amine Formula: C20H22N2O8 MolecularWeight: 418.39728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[N+](=O)[O-])OC2=CC=CC(=C2OC)CNC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)[N+](=O)[O-])OC2=CC=CC(=C2OC)CNC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H18N2O4.C4H4O4/c1-11-7-8-13(18(19)20)15(9-11)22-14-6-4-5-12(10-17-2)16(14)21-3;5-3(6)1-2-4(7)8/h4-9,17H,10H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+