(E)-but-2-enedioic acid; N-methyl-2-(4-nitrophenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamide

Systemtic Name: (E)-but-2-enedioic acid; N-methyl-2-(4-nitrophenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamide Openeye Name: fumaric acid; N-methyl-2-(4-nitrophenyl)-N-(2-pyrrolidin-1-ylethyl)acetamide CAS Name: (E)-2-butenedioic acid; N-methyl-2-(4-nitrophenyl)-N-[2-(1-pyrrolidinyl)ethyl]acetamide IUPAC Name: (E)-but-2-enedioic acid; N-methyl-2-(4-nitrophenyl)-N-(2-pyrrolidin-1-ylethyl)acetamide Traditional Name: fumaric acid; N-methyl-2-(4-nitrophenyl)-N-(2-pyrrolidinoethyl)acetamide Formula: C19H25N3O7 MolecularWeight: 407.4177

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCN1CCCC1)C(=O)CC2=CC=C(C=C2)[N+](=O)[O-].C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(CCN1CCCC1)C(=O)CC2=CC=C(C=C2)[N+](=O)[O-].C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H21N3O3.C4H4O4/c1-16(10-11-17-8-2-3-9-17)15(19)12-13-4-6-14(7-5-13)18(20)21;5-3(6)1-2-4(7)8/h4-7H,2-3,8-12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+