(phenylmethyl) 7-chloranyl-2,8-dimethyl-5-oxidanylidene-chromeno[2,3-b]pyridine-3-carboxylate

Systemtic Name: (phenylmethyl) 7-chloranyl-2,8-dimethyl-5-oxidanylidene-chromeno[2,3-b]pyridine-3-carboxylate Openeye Name: benzyl 7-chloro-2,8-dimethyl-5-oxo-chromeno[2,3-b]pyridine-3-carboxylate CAS Name: 7-chloro-2,8-dimethyl-5-oxo-3-[1]benzopyrano[2,3-b]pyridinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 7-chloro-2,8-dimethyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate Traditional Name: 7-chloro-5-keto-2,8-dimethyl-chromeno[2,3-b]pyridine-3-carboxylic acid benzyl ester Formula: C22H16ClNO4 MolecularWeight: 393.81974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)OC3=NC(=C(C=C3C2=O)C(=O)OCC4=CC=CC=C4)C)Cl

Isomeric SMILES

CC1=C(C=C2C(=C1)OC3=NC(=C(C=C3C2=O)C(=O)OCC4=CC=CC=C4)C)Cl

InChI

InChI=1S/C22H16ClNO4/c1-12-8-19-16(10-18(12)23)20(25)17-9-15(13(2)24-21(17)28-19)22(26)27-11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3