methyl 5-[[(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methylamino]methyl]-2-methoxy-benzoate

Systemtic Name: methyl 5-[[(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methylamino]methyl]-2-methoxy-benzoate Openeye Name: methyl 5-[[(6-chloro-7-methyl-2-oxo-chromen-4-yl)methylamino]methyl]-2-methoxy-benzoate CAS Name: 5-[[(6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methylamino]methyl]-2-methoxybenzoic acid methyl ester IUPAC Name: methyl 5-[[(6-chloro-7-methyl-2-oxochromen-4-yl)methylamino]methyl]-2-methoxybenzoate Traditional Name: 5-[[(6-chloro-2-keto-7-methyl-chromen-4-yl)methylamino]methyl]-2-methoxy-benzoic acid methyl ester Formula: C21H20ClNO5 MolecularWeight: 401.8402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CNCC3=CC(=C(C=C3)OC)C(=O)OC)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CNCC3=CC(=C(C=C3)OC)C(=O)OC)Cl

InChI

InChI=1S/C21H20ClNO5/c1-12-6-19-15(9-17(12)22)14(8-20(24)28-19)11-23-10-13-4-5-18(26-2)16(7-13)21(25)27-3/h4-9,23H,10-11H2,1-3H3