(Z)-but-2-enedioic acid; N-methyl-1-[3-[(4-nitrophenoxy)methyl]oxetan-3-yl]methanamine

Systemtic Name: (Z)-but-2-enedioic acid; N-methyl-1-[3-[(4-nitrophenoxy)methyl]oxetan-3-yl]methanamine Openeye Name: maleic acid; N-methyl-1-[3-[(4-nitrophenoxy)methyl]oxetan-3-yl]methanamine CAS Name: (Z)-2-butenedioic acid; N-methyl-1-[3-[(4-nitrophenoxy)methyl]-3-oxetanyl]methanamine IUPAC Name: (Z)-but-2-enedioic acid; N-methyl-1-[3-[(4-nitrophenoxy)methyl]oxetan-3-yl]methanamine Traditional Name: maleic acid; methyl-[[3-[(4-nitrophenoxy)methyl]oxetan-3-yl]methyl]amine Formula: C16H20N2O8 MolecularWeight: 368.3386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNCC1(COC1)COC2=CC=C(C=C2)[N+](=O)[O-].C(=CC(=O)O)C(=O)O

Isomeric SMILES

CNCC1(COC1)COC2=CC=C(C=C2)[N+](=O)[O-].C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C12H16N2O4.C4H4O4/c1-13-6-12(7-17-8-12)9-18-11-4-2-10(3-5-11)14(15)16;5-3(6)1-2-4(7)8/h2-5,13H,6-9H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-