[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 4-azanyl-5-chloranyl-2-methoxy-benzoate

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: [2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl] 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid [2-(1,3-benzodioxol-5-yl)-2-keto-ethyl] ester Formula: C17H14ClNO6 MolecularWeight: 363.74916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCC(=O)C2=CC3=C(C=C2)OCO3)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCC(=O)C2=CC3=C(C=C2)OCO3)Cl)N

InChI

InChI=1S/C17H14ClNO6/c1-22-15-6-12(19)11(18)5-10(15)17(21)23-7-13(20)9-2-3-14-16(4-9)25-8-24-14/h2-6H,7-8,19H2,1H3