tert-butyl 2-cyano-2-isocyano-3-(4-nitrophenyl)propanoate

Systemtic Name: tert-butyl 2-cyano-2-isocyano-3-(4-nitrophenyl)propanoate Openeye Name: tert-butyl 2-cyano-2-isocyano-3-(4-nitrophenyl)propanoate CAS Name: 2-cyano-2-isocyano-3-(4-nitrophenyl)propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-cyano-2-isocyano-3-(4-nitrophenyl)propanoate Traditional Name: 2-cyano-2-isocyano-3-(4-nitrophenyl)propionic acid tert-butyl ester Formula: C15H15N3O4 MolecularWeight: 301.2973

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])(C#N)[N+]#[C-]

Isomeric SMILES

CC(C)(C)OC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])(C#N)[N+]#[C-]

InChI

InChI=1S/C15H15N3O4/c1-14(2,3)22-13(19)15(10-16,17-4)9-11-5-7-12(8-6-11)18(20)21/h5-8H,9H2,1-3H3