[2-[2-(3-methylphenoxy)ethylamino]-2-oxidanylidene-ethyl] 6-chloranyl-4-oxidanylidene-chromene-2-carboxylate

Systemtic Name: [2-[2-(3-methylphenoxy)ethylamino]-2-oxidanylidene-ethyl] 6-chloranyl-4-oxidanylidene-chromene-2-carboxylate Openeye Name: [2-[2-(3-methylphenoxy)ethylamino]-2-oxo-ethyl] 6-chloro-4-oxo-chromene-2-carboxylate CAS Name: 6-chloro-4-oxo-1-benzopyran-2-carboxylic acid [2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 6-chloro-4-oxochromene-2-carboxylate Traditional Name: 6-chloro-4-keto-chromene-2-carboxylic acid [2-keto-2-[2-(3-methylphenoxy)ethylamino]ethyl] ester Formula: C21H18ClNO6 MolecularWeight: 415.82372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCNC(=O)COC(=O)C2=CC(=O)C3=C(O2)C=CC(=C3)Cl

Isomeric SMILES

CC1=CC(=CC=C1)OCCNC(=O)COC(=O)C2=CC(=O)C3=C(O2)C=CC(=C3)Cl

InChI

InChI=1S/C21H18ClNO6/c1-13-3-2-4-15(9-13)27-8-7-23-20(25)12-28-21(26)19-11-17(24)16-10-14(22)5-6-18(16)29-19/h2-6,9-11H,7-8,12H2,1H3,(H,23,25)