methyl 4-chloranyl-3-[[2-isocyano-2-(4-methylphenoxy)ethanoyl]amino]benzoate

Systemtic Name: methyl 4-chloranyl-3-[[2-isocyano-2-(4-methylphenoxy)ethanoyl]amino]benzoate Openeye Name: methyl 4-chloro-3-[[2-isocyano-2-(4-methylphenoxy)acetyl]amino]benzoate CAS Name: 4-chloro-3-[[2-isocyano-2-(4-methylphenoxy)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[[2-isocyano-2-(4-methylphenoxy)acetyl]amino]benzoate Traditional Name: 4-chloro-3-[[2-isocyano-2-(4-methylphenoxy)acetyl]amino]benzoic acid methyl ester Formula: C18H15ClN2O4 MolecularWeight: 358.7757

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC(C(=O)NC2=C(C=CC(=C2)C(=O)OC)Cl)[N+]#[C-]

Isomeric SMILES

CC1=CC=C(C=C1)OC(C(=O)NC2=C(C=CC(=C2)C(=O)OC)Cl)[N+]#[C-]

InChI

InChI=1S/C18H15ClN2O4/c1-11-4-7-13(8-5-11)25-17(20-2)16(22)21-15-10-12(18(23)24-3)6-9-14(15)19/h4-10,17H,1,3H3,(H,21,22)