(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 4-(2-cyanoethanoylamino)benzoate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C21H15ClN2O5 MolecularWeight: 410.8072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC=C(C=C3)NC(=O)CC#N)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC=C(C=C3)NC(=O)CC#N)Cl

InChI

InChI=1S/C21H15ClN2O5/c1-12-8-18-16(10-17(12)22)14(9-20(26)29-18)11-28-21(27)13-2-4-15(5-3-13)24-19(25)6-7-23/h2-5,8-10H,6,11H2,1H3,(H,24,25)