isocyanatobenzene; 1-isocyanato-4-methyl-benzene

Systemtic Name: isocyanatobenzene; 1-isocyanato-4-methyl-benzene Openeye Name: isocyanatobenzene; 1-isocyanato-4-methyl-benzene CAS Name: isocyanatobenzene; 1-isocyanato-4-methylbenzene IUPAC Name: isocyanatobenzene; 1-isocyanato-4-methylbenzene Traditional Name: isocyanatobenzene; 1-isocyanato-4-methyl-benzene Formula: C15H12N2O2 MolecularWeight: 252.26798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N=C=O.C1=CC=C(C=C1)N=C=O

Isomeric SMILES

CC1=CC=C(C=C1)N=C=O.C1=CC=C(C=C1)N=C=O

InChI

InChI=1S/C8H7NO.C7H5NO/c1-7-2-4-8(5-3-7)9-6-10;9-6-8-7-4-2-1-3-5-7/h2-5H,1H3;1-5H