N-(2-chloranyl-4-isocyano-1-methyl-5-oxidanyl-pyrrol-3-yl)-2-(2,4-dimethylphenoxy)butanamide

Systemtic Name: N-(2-chloranyl-4-isocyano-1-methyl-5-oxidanyl-pyrrol-3-yl)-2-(2,4-dimethylphenoxy)butanamide Openeye Name: N-(2-chloro-5-hydroxy-4-isocyano-1-methyl-pyrrol-3-yl)-2-(2,4-dimethylphenoxy)butanamide CAS Name: N-(2-chloro-5-hydroxy-4-isocyano-1-methyl-3-pyrrolyl)-2-(2,4-dimethylphenoxy)butanamide IUPAC Name: N-(2-chloro-5-hydroxy-4-isocyano-1-methylpyrrol-3-yl)-2-(2,4-dimethylphenoxy)butanamide Traditional Name: N-(2-chloro-5-hydroxy-4-isocyano-1-methyl-pyrrol-3-yl)-2-(2,4-dimethylphenoxy)butyramide Formula: C18H20ClN3O3 MolecularWeight: 361.8227

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(N(C(=C1[N+]#[C-])O)C)Cl)OC2=C(C=C(C=C2)C)C

Isomeric SMILES

CCC(C(=O)NC1=C(N(C(=C1[N+]#[C-])O)C)Cl)OC2=C(C=C(C=C2)C)C

InChI

InChI=1S/C18H20ClN3O3/c1-6-12(25-13-8-7-10(2)9-11(13)3)17(23)21-14-15(20-4)18(24)22(5)16(14)19/h7-9,12,24H,6H2,1-3,5H3,(H,21,23)