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

Systemtic Name: phenethyl 7-chloranyl-2,8-dimethyl-5-oxidanylidene-chromeno[2,3-b]pyridine-3-carboxylate Openeye Name: phenethyl 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 phenethyl ester IUPAC Name: phenethyl 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 phenethyl ester Formula: C23H18ClNO4 MolecularWeight: 407.84632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)OC3=NC(=C(C=C3C2=O)C(=O)OCCC4=CC=CC=C4)C)Cl

Isomeric SMILES

CC1=C(C=C2C(=C1)OC3=NC(=C(C=C3C2=O)C(=O)OCCC4=CC=CC=C4)C)Cl

InChI

InChI=1S/C23H18ClNO4/c1-13-10-20-17(12-19(13)24)21(26)18-11-16(14(2)25-22(18)29-20)23(27)28-9-8-15-6-4-3-5-7-15/h3-7,10-12H,8-9H2,1-2H3