(6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: (6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: (6-chloro-7-ethyl-2-oxo-chromen-4-yl)methyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (6-chloro-7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-ethyl-2-oxochromen-4-yl)methyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (6-chloro-7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C21H20ClNO5 MolecularWeight: 401.8402

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=C(C(=C(N3)C)C(=O)C)C)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=C(C(=C(N3)C)C(=O)C)C)Cl

InChI

InChI=1S/C21H20ClNO5/c1-5-13-6-17-15(8-16(13)22)14(7-18(25)28-17)9-27-21(26)20-10(2)19(12(4)24)11(3)23-20/h6-8,23H,5,9H2,1-4H3