(E)-but-2-enedioic acid; N-(1-cyclohexyl-4-oxidanyl-pyrrolidin-3-yl)-N-methyl-4-nitro-benzamide

Systemtic Name: (E)-but-2-enedioic acid; N-(1-cyclohexyl-4-oxidanyl-pyrrolidin-3-yl)-N-methyl-4-nitro-benzamide Openeye Name: N-(1-cyclohexyl-4-hydroxy-pyrrolidin-3-yl)-N-methyl-4-nitro-benzamide; fumaric acid CAS Name: (E)-2-butenedioic acid; N-(1-cyclohexyl-4-hydroxy-3-pyrrolidinyl)-N-methyl-4-nitrobenzamide IUPAC Name: (E)-but-2-enedioic acid; N-(1-cyclohexyl-4-hydroxypyrrolidin-3-yl)-N-methyl-4-nitrobenzamide Traditional Name: N-(1-cyclohexyl-4-hydroxy-pyrrolidin-3-yl)-N-methyl-4-nitro-benzamide; fumaric acid Formula: C22H29N3O8 MolecularWeight: 463.48096

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CN(CC1O)C2CCCCC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-].C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C1CN(CC1O)C2CCCCC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-].C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H25N3O4.C4H4O4/c1-19(18(23)13-7-9-15(10-8-13)21(24)25)16-11-20(12-17(16)22)14-5-3-2-4-6-14;5-3(6)1-2-4(7)8/h7-10,14,16-17,22H,2-6,11-12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+