4-bromanyl-2-[(3-methoxy-4-propanoyloxy-phenyl)carbonylamino]benzoic acid

Systemtic Name: 4-bromanyl-2-[(3-methoxy-4-propanoyloxy-phenyl)carbonylamino]benzoic acid Openeye Name: 4-bromo-2-[(3-methoxy-4-propanoyloxy-benzoyl)amino]benzoic acid CAS Name: 4-bromo-2-[[[3-methoxy-4-(1-oxopropoxy)phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-bromo-2-[(3-methoxy-4-propanoyloxybenzoyl)amino]benzoic acid Traditional Name: 4-bromo-2-[(3-methoxy-4-propionyloxy-benzoyl)amino]benzoic acid Formula: C18H16BrNO6 MolecularWeight: 422.22674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)Br)C(=O)O)OC

Isomeric SMILES

CCC(=O)OC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)Br)C(=O)O)OC

InChI

InChI=1S/C18H16BrNO6/c1-3-16(21)26-14-7-4-10(8-15(14)25-2)17(22)20-13-9-11(19)5-6-12(13)18(23)24/h4-9H,3H2,1-2H3,(H,20,22)(H,23,24)