4-chloranyl-7-isocyanato-3-methoxy-isochromen-1-one

Systemtic Name: 4-chloranyl-7-isocyanato-3-methoxy-isochromen-1-one Openeye Name: 4-chloro-7-isocyanato-3-methoxy-isochromen-1-one CAS Name: 4-chloro-7-isocyanato-3-methoxy-2-benzopyran-1-one IUPAC Name: 4-chloro-7-isocyanato-3-methoxyisochromen-1-one Traditional Name: 4-chloro-7-isocyanato-3-methoxy-isocoumarin Formula: C11H6ClNO4 MolecularWeight: 251.62264

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C(C=C2)N=C=O)C(=O)O1)Cl

Isomeric SMILES

COC1=C(C2=C(C=C(C=C2)N=C=O)C(=O)O1)Cl

InChI

InChI=1S/C11H6ClNO4/c1-16-11-9(12)7-3-2-6(13-5-14)4-8(7)10(15)17-11/h2-4H,1H3