3-isocyanato-4-(2-methylphenyl)-6-propan-2-yl-chromen-2-one

Systemtic Name: 3-isocyanato-4-(2-methylphenyl)-6-propan-2-yl-chromen-2-one Openeye Name: 3-isocyanato-6-isopropyl-4-(o-tolyl)chromen-2-one CAS Name: 3-isocyanato-4-(2-methylphenyl)-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 3-isocyanato-4-(2-methylphenyl)-6-propan-2-ylchromen-2-one Traditional Name: 3-isocyanato-6-isopropyl-4-(o-tolyl)coumarin Formula: C20H17NO3 MolecularWeight: 319.35388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17NO3/c1-12(2)14-8-9-17-16(10-14)18(15-7-5-4-6-13(15)3)19(21-11-22)20(23)24-17/h4-10,12H,1-3H3