(E)-but-2-enedioic acid; 2-cyano-N-(4-nitrophenyl)-2-(propylamino)propanamide

Systemtic Name: (E)-but-2-enedioic acid; 2-cyano-N-(4-nitrophenyl)-2-(propylamino)propanamide Openeye Name: 2-cyano-N-(4-nitrophenyl)-2-(propylamino)propanamide; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-cyano-N-(4-nitrophenyl)-2-(propylamino)propanamide IUPAC Name: (E)-but-2-enedioic acid; 2-cyano-N-(4-nitrophenyl)-2-(propylamino)propanamide Traditional Name: 2-cyano-N-(4-nitrophenyl)-2-(propylamino)propionamide; fumaric acid Formula: C17H20N4O7 MolecularWeight: 392.3633

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(C)(C#N)C(=O)NC1=CC=C(C=C1)[N+](=O)[O-].C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCNC(C)(C#N)C(=O)NC1=CC=C(C=C1)[N+](=O)[O-].C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C13H16N4O3.C4H4O4/c1-3-8-15-13(2,9-14)12(18)16-10-4-6-11(7-5-10)17(19)20;5-3(6)1-2-4(7)8/h4-7,15H,3,8H2,1-2H3,(H,16,18);1-2H,(H,5,6)(H,7,8)/b;2-1+