7-azabicyclo[2.2.1]hepta-1,3,5-triene; O4-ethyl O1-methyl 2-azanylidenebutanedioate

Systemtic Name: 7-azabicyclo[2.2.1]hepta-1,3,5-triene; O4-ethyl O1-methyl 2-azanylidenebutanedioate Openeye Name: 7-azabicyclo[2.2.1]hepta-1,3,5-triene; O4-ethyl O1-methyl 2-iminobutanedioate CAS Name: 7-azabicyclo[2.2.1]hepta-1,3,5-triene; 2-iminobutanedioic acid O4-ethyl ester O1-methyl ester IUPAC Name: 7-azabicyclo[2.2.1]hepta-1,3,5-triene; 4-O-ethyl 1-O-methyl 2-iminobutanedioate Traditional Name: 7-azabicyclo[2.2.1]hepta-1,3,5-triene; 2-iminosuccinic acid O4-ethyl ester O1-methyl ester Formula: C13H16N2O4 MolecularWeight: 264.27714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=N)C(=O)OC.C1=CC2=CC=C1N2

Isomeric SMILES

CCOC(=O)CC(=N)C(=O)OC.C1=CC2=CC=C1N2

InChI

InChI=1S/C7H11NO4.C6H5N/c1-3-12-6(9)4-5(8)7(10)11-2;1-2-6-4-3-5(1)7-6/h8H,3-4H2,1-2H3;1-4,7H