4-[[(3R)-1-oxidanylidene-3,4-dihydroisochromen-3-yl]carbonylamino]benzoate

Systemtic Name: 4-[[(3R)-1-oxidanylidene-3,4-dihydroisochromen-3-yl]carbonylamino]benzoate Openeye Name: 4-[[(3R)-1-oxoisochromane-3-carbonyl]amino]benzoate CAS Name: 4-[[oxo-[(3R)-1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl]methyl]amino]benzoate IUPAC Name: 4-[[(3R)-1-oxo-3,4-dihydroisochromene-3-carbonyl]amino]benzoate Traditional Name: 4-[[(3R)-1-ketoisochroman-3-carbonyl]amino]benzoate Formula: C17H12NO5- MolecularWeight: 310.28088

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(=O)C2=CC=CC=C21)C(=O)NC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1[C@@H](OC(=O)C2=CC=CC=C21)C(=O)NC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C17H13NO5/c19-15(18-12-7-5-10(6-8-12)16(20)21)14-9-11-3-1-2-4-13(11)17(22)23-14/h1-8,14H,9H2,(H,18,19)(H,20,21)/p-1/t14-/m1/s1