[5-chloranyl-2-oxidanylidene-3-(phenylmethyl)chromen-4-yl] pyridine-3-carboxylate

Systemtic Name: [5-chloranyl-2-oxidanylidene-3-(phenylmethyl)chromen-4-yl] pyridine-3-carboxylate Openeye Name: (3-benzyl-5-chloro-2-oxo-chromen-4-yl) pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [5-chloro-2-oxo-3-(phenylmethyl)-1-benzopyran-4-yl] ester IUPAC Name: (3-benzyl-5-chloro-2-oxochromen-4-yl) pyridine-3-carboxylate Traditional Name: nicotinic acid (3-benzyl-5-chloro-2-keto-chromen-4-yl) ester Formula: C22H14ClNO4 MolecularWeight: 391.80386

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C3=C(C=CC=C3Cl)OC2=O)OC(=O)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C3=C(C=CC=C3Cl)OC2=O)OC(=O)C4=CN=CC=C4

InChI

InChI=1S/C22H14ClNO4/c23-17-9-4-10-18-19(17)20(28-21(25)15-8-5-11-24-13-15)16(22(26)27-18)12-14-6-2-1-3-7-14/h1-11,13H,12H2