5-[(3-methoxy-4-propanoyloxy-phenyl)carbonylamino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[(3-methoxy-4-propanoyloxy-phenyl)carbonylamino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[(3-methoxy-4-propanoyloxy-benzoyl)amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[[3-methoxy-4-(1-oxopropoxy)phenyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[(3-methoxy-4-propanoyloxybenzoyl)amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[(3-methoxy-4-propionyloxy-benzoyl)amino]isophthalic acid Formula: C19H17NO8 MolecularWeight: 387.34018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17NO8/c1-3-16(21)28-14-5-4-10(9-15(14)27-2)17(22)20-13-7-11(18(23)24)6-12(8-13)19(25)26/h4-9H,3H2,1-2H3,(H,20,22)(H,23,24)(H,25,26)