3-[[3,4-bis(oxidanyl)phenyl]carbonylamino]propyl ethanoate

Systemtic Name: 3-[[3,4-bis(oxidanyl)phenyl]carbonylamino]propyl ethanoate Openeye Name: 3-[(3,4-dihydroxybenzoyl)amino]propyl acetate CAS Name: acetic acid 3-[[(3,4-dihydroxyphenyl)-oxomethyl]amino]propyl ester IUPAC Name: 3-[(3,4-dihydroxybenzoyl)amino]propyl acetate Traditional Name: acetic acid 3-(protocatechuoylamino)propyl ester Formula: C12H15NO5 MolecularWeight: 253.2512

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCNC(=O)C1=CC(=C(C=C1)O)O

Isomeric SMILES

CC(=O)OCCCNC(=O)C1=CC(=C(C=C1)O)O

InChI

InChI=1S/C12H15NO5/c1-8(14)18-6-2-5-13-12(17)9-3-4-10(15)11(16)7-9/h3-4,7,15-16H,2,5-6H2,1H3,(H,13,17)