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

Systemtic Name: 3-isocyanato-4-(2-methylphenyl)chromen-2-one Openeye Name: 3-isocyanato-4-(o-tolyl)chromen-2-one CAS Name: 3-isocyanato-4-(2-methylphenyl)-1-benzopyran-2-one IUPAC Name: 3-isocyanato-4-(2-methylphenyl)chromen-2-one Traditional Name: 3-isocyanato-4-(o-tolyl)coumarin Formula: C17H11NO3 MolecularWeight: 277.27414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C(=O)OC3=CC=CC=C32)N=C=O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C(=O)OC3=CC=CC=C32)N=C=O

InChI

InChI=1S/C17H11NO3/c1-11-6-2-3-7-12(11)15-13-8-4-5-9-14(13)21-17(20)16(15)18-10-19/h2-9H,1H3