[3-azanyl-2-oxidanylidene-7-(phenylcarbonyloxy)-3,4-dihydrochromen-6-yl] benzoate hydrochloride

Systemtic Name: [3-azanyl-2-oxidanylidene-7-(phenylcarbonyloxy)-3,4-dihydrochromen-6-yl] benzoate hydrochloride Openeye Name: (3-amino-7-benzoyloxy-2-oxo-chroman-6-yl) benzoate hydrochloride CAS Name: benzoic acid (3-amino-7-benzoyloxy-2-oxo-3,4-dihydro-2H-1-benzopyran-6-yl) ester hydrochloride IUPAC Name: (3-amino-7-benzoyloxy-2-oxo-3,4-dihydrochromen-6-yl) benzoate hydrochloride Traditional Name: benzoic acid (3-amino-7-benzoyloxy-2-keto-chroman-6-yl) ester hydrochloride Formula: C23H18ClNO6 MolecularWeight: 439.84512

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)OC2=CC(=C(C=C21)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)N.Cl

Isomeric SMILES

C1C(C(=O)OC2=CC(=C(C=C21)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)N.Cl

InChI

InChI=1S/C23H17NO6.ClH/c24-17-11-16-12-19(29-21(25)14-7-3-1-4-8-14)20(13-18(16)28-23(17)27)30-22(26)15-9-5-2-6-10-15;/h1-10,12-13,17H,11,24H2;1H