[3-(butan-2-ylcarbamoyl)-2-oxidanylidene-chromen-7-yl] 2-chloranylbenzoate

Systemtic Name: [3-(butan-2-ylcarbamoyl)-2-oxidanylidene-chromen-7-yl] 2-chloranylbenzoate Openeye Name: [2-oxo-3-(sec-butylcarbamoyl)chromen-7-yl] 2-chlorobenzoate CAS Name: 2-chlorobenzoic acid [3-[(butan-2-ylamino)-oxomethyl]-2-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(butan-2-ylcarbamoyl)-2-oxochromen-7-yl] 2-chlorobenzoate Traditional Name: 2-chlorobenzoic acid [2-keto-3-(sec-butylcarbamoyl)chromen-7-yl] ester Formula: C21H18ClNO5 MolecularWeight: 399.82432

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC2=C(C=C(C=C2)OC(=O)C3=CC=CC=C3Cl)OC1=O

Isomeric SMILES

CCC(C)NC(=O)C1=CC2=C(C=C(C=C2)OC(=O)C3=CC=CC=C3Cl)OC1=O

InChI

InChI=1S/C21H18ClNO5/c1-3-12(2)23-19(24)16-10-13-8-9-14(11-18(13)28-21(16)26)27-20(25)15-6-4-5-7-17(15)22/h4-12H,3H2,1-2H3,(H,23,24)