4-(2-chlorophenyl)-3-isocyanato-6,7-dimethyl-chromen-2-one

Systemtic Name: 4-(2-chlorophenyl)-3-isocyanato-6,7-dimethyl-chromen-2-one Openeye Name: 4-(2-chlorophenyl)-3-isocyanato-6,7-dimethyl-chromen-2-one CAS Name: 4-(2-chlorophenyl)-3-isocyanato-6,7-dimethyl-1-benzopyran-2-one IUPAC Name: 4-(2-chlorophenyl)-3-isocyanato-6,7-dimethylchromen-2-one Traditional Name: 4-(2-chlorophenyl)-3-isocyanato-6,7-dimethyl-coumarin Formula: C18H12ClNO3 MolecularWeight: 325.74578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=C(C(=O)O2)N=C=O)C3=CC=CC=C3Cl)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=C(C(=O)O2)N=C=O)C3=CC=CC=C3Cl)C

InChI

InChI=1S/C18H12ClNO3/c1-10-7-13-15(8-11(10)2)23-18(22)17(20-9-21)16(13)12-5-3-4-6-14(12)19/h3-8H,1-2H3