cyclopropanecarboxylic acid; 1-(isocyanatomethyl)-4-methoxy-benzene

Systemtic Name: cyclopropanecarboxylic acid; 1-(isocyanatomethyl)-4-methoxy-benzene Openeye Name: cyclopropanecarboxylic acid; 1-(isocyanatomethyl)-4-methoxy-benzene CAS Name: cyclopropanecarboxylic acid; 1-(isocyanatomethyl)-4-methoxybenzene IUPAC Name: cyclopropanecarboxylic acid; 1-(isocyanatomethyl)-4-methoxybenzene Traditional Name: cyclopropanecarboxylic acid; 1-(isocyanatomethyl)-4-methoxy-benzene Formula: C13H15NO4 MolecularWeight: 249.2625

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN=C=O.C1CC1C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CN=C=O.C1CC1C(=O)O

InChI

InChI=1S/C9H9NO2.C4H6O2/c1-12-9-4-2-8(3-5-9)6-10-7-11;5-4(6)3-1-2-3/h2-5H,6H2,1H3;3H,1-2H2,(H,5,6)