methyl 3-[(7-chloranyl-1,3-benzodioxol-5-yl)carbonylamino]benzoate

Systemtic Name: methyl 3-[(7-chloranyl-1,3-benzodioxol-5-yl)carbonylamino]benzoate Openeye Name: methyl 3-[(7-chloro-1,3-benzodioxole-5-carbonyl)amino]benzoate CAS Name: 3-[[(7-chloro-1,3-benzodioxol-5-yl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(7-chloro-1,3-benzodioxole-5-carbonyl)amino]benzoate Traditional Name: 3-[(7-chloropiperonyloyl)amino]benzoic acid methyl ester Formula: C16H12ClNO5 MolecularWeight: 333.72318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)C2=CC3=C(C(=C2)Cl)OCO3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)C2=CC3=C(C(=C2)Cl)OCO3

InChI

InChI=1S/C16H12ClNO5/c1-21-16(20)9-3-2-4-11(5-9)18-15(19)10-6-12(17)14-13(7-10)22-8-23-14/h2-7H,8H2,1H3,(H,18,19)