(E)-but-2-enedioic acid; 2-[(Z)-1-(3-methyl-4-nitro-phenyl)pentylideneamino]oxyethanamine

Systemtic Name: (E)-but-2-enedioic acid; 2-[(Z)-1-(3-methyl-4-nitro-phenyl)pentylideneamino]oxyethanamine Openeye Name: fumaric acid; 2-[(Z)-1-(3-methyl-4-nitro-phenyl)pentylideneamino]oxyethanamine CAS Name: (E)-2-butenedioic acid; 2-[(Z)-1-(3-methyl-4-nitrophenyl)pentylideneamino]oxyethanamine IUPAC Name: (E)-but-2-enedioic acid; 2-[(Z)-1-(3-methyl-4-nitrophenyl)pentylideneamino]oxyethanamine Traditional Name: fumaric acid; 2-[(Z)-1-(3-methyl-4-nitro-phenyl)pentylideneamino]oxyethylamine Formula: C18H25N3O7 MolecularWeight: 395.407

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=NOCCN)C1=CC(=C(C=C1)[N+](=O)[O-])C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCC/C(=N/OCCN)/C1=CC(=C(C=C1)[N+](=O)[O-])C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H21N3O3.C4H4O4/c1-3-4-5-13(16-20-9-8-15)12-6-7-14(17(18)19)11(2)10-12;5-3(6)1-2-4(7)8/h6-7,10H,3-5,8-9,15H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b16-13-;2-1+