2-isocyanatoethyl 4-isocyanatobenzoate

Systemtic Name: 2-isocyanatoethyl 4-isocyanatobenzoate Openeye Name: 2-isocyanatoethyl 4-isocyanatobenzoate CAS Name: 4-isocyanatobenzoic acid 2-isocyanatoethyl ester IUPAC Name: 2-isocyanatoethyl 4-isocyanatobenzoate Traditional Name: 4-isocyanatobenzoic acid 2-isocyanatoethyl ester Formula: C11H8N2O4 MolecularWeight: 232.19222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCCN=C=O)N=C=O

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCCN=C=O)N=C=O

InChI

InChI=1S/C11H8N2O4/c14-7-12-5-6-17-11(16)9-1-3-10(4-2-9)13-8-15/h1-4H,5-6H2