2-chloranyl-4-isocyanato-3-methyl-benzenecarbonitrile

Systemtic Name: 2-chloranyl-4-isocyanato-3-methyl-benzenecarbonitrile Openeye Name: 2-chloro-4-isocyanato-3-methyl-benzonitrile CAS Name: 2-chloro-4-isocyanato-3-methylbenzonitrile IUPAC Name: 2-chloro-4-isocyanato-3-methylbenzonitrile Traditional Name: 2-chloro-4-isocyanato-3-methyl-benzonitrile Formula: C9H5ClN2O MolecularWeight: 192.6018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1Cl)C#N)N=C=O

Isomeric SMILES

CC1=C(C=CC(=C1Cl)C#N)N=C=O

InChI

InChI=1S/C9H5ClN2O/c1-6-8(12-5-13)3-2-7(4-11)9(6)10/h2-3H,1H3