2-ethyl-3-isocyanato-benzoic acid

Systemtic Name: 2-ethyl-3-isocyanato-benzoic acid Openeye Name: 2-ethyl-3-isocyanato-benzoic acid CAS Name: 2-ethyl-3-isocyanatobenzoic acid IUPAC Name: 2-ethyl-3-isocyanatobenzoic acid Traditional Name: 2-ethyl-3-isocyanato-benzoic acid Formula: C10H9NO3 MolecularWeight: 191.18336

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC=C1N=C=O)C(=O)O

Isomeric SMILES

CCC1=C(C=CC=C1N=C=O)C(=O)O

InChI

InChI=1S/C10H9NO3/c1-2-7-8(10(13)14)4-3-5-9(7)11-6-12/h3-5H,2H2,1H3,(H,13,14)