6-chloranyl-3-isocyanato-4-(2-methylphenyl)chromen-2-one

Systemtic Name: 6-chloranyl-3-isocyanato-4-(2-methylphenyl)chromen-2-one Openeye Name: 6-chloro-3-isocyanato-4-(o-tolyl)chromen-2-one CAS Name: 6-chloro-3-isocyanato-4-(2-methylphenyl)-1-benzopyran-2-one IUPAC Name: 6-chloro-3-isocyanato-4-(2-methylphenyl)chromen-2-one Traditional Name: 6-chloro-3-isocyanato-4-(o-tolyl)coumarin Formula: C17H10ClNO3 MolecularWeight: 311.7192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C(=O)OC3=C2C=C(C=C3)Cl)N=C=O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C(=O)OC3=C2C=C(C=C3)Cl)N=C=O

InChI

InChI=1S/C17H10ClNO3/c1-10-4-2-3-5-12(10)15-13-8-11(18)6-7-14(13)22-17(21)16(15)19-9-20/h2-8H,1H3