3-(3-cyanophenyl)-2-isocyanato-propanoate

Systemtic Name: 3-(3-cyanophenyl)-2-isocyanato-propanoate Openeye Name: 3-(3-cyanophenyl)-2-isocyanato-propanoate CAS Name: 3-(3-cyanophenyl)-2-isocyanatopropanoate IUPAC Name: 3-(3-cyanophenyl)-2-isocyanatopropanoate Traditional Name: 3-(3-cyanophenyl)-2-isocyanato-propionate Formula: C11H7N2O3- MolecularWeight: 215.18488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H8N2O3/c12-6-9-3-1-2-8(4-9)5-10(11(15)16)13-7-14/h1-4,10H,5H2,(H,15,16)/p-1