[3-cyclopropyl-7-methyl-6,8-bis(oxidanylidene)isochromen-7-yl] 6-chloranylpyridine-3-carboxylate

Systemtic Name: [3-cyclopropyl-7-methyl-6,8-bis(oxidanylidene)isochromen-7-yl] 6-chloranylpyridine-3-carboxylate Openeye Name: (3-cyclopropyl-7-methyl-6,8-dioxo-isochromen-7-yl) 6-chloropyridine-3-carboxylate CAS Name: 6-chloro-3-pyridinecarboxylic acid (3-cyclopropyl-7-methyl-6,8-dioxo-2-benzopyran-7-yl) ester IUPAC Name: (3-cyclopropyl-7-methyl-6,8-dioxoisochromen-7-yl) 6-chloropyridine-3-carboxylate Traditional Name: 6-chloronicotinic acid (3-cyclopropyl-6,8-diketo-7-methyl-isochromen-7-yl) ester Formula: C19H14ClNO5 MolecularWeight: 371.77116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C=C2C=C(OC=C2C1=O)C3CC3)OC(=O)C4=CN=C(C=C4)Cl

Isomeric SMILES

CC1(C(=O)C=C2C=C(OC=C2C1=O)C3CC3)OC(=O)C4=CN=C(C=C4)Cl

InChI

InChI=1S/C19H14ClNO5/c1-19(26-18(24)11-4-5-16(20)21-8-11)15(22)7-12-6-14(10-2-3-10)25-9-13(12)17(19)23/h4-10H,2-3H2,1H3