[2-[[2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate

Systemtic Name: [2-[[2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate Openeye Name: [2-[[2-(3-chloro-2-methyl-anilino)-2-oxo-ethyl]amino]-2-oxo-ethyl] 2H-chromene-3-carboxylate CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2H-chromene-3-carboxylate Traditional Name: 2H-chromene-3-carboxylic acid [2-[[2-(3-chloro-2-methyl-anilino)-2-keto-ethyl]amino]-2-keto-ethyl] ester Formula: C21H19ClN2O5 MolecularWeight: 414.83896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CNC(=O)COC(=O)C2=CC3=CC=CC=C3OC2

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CNC(=O)COC(=O)C2=CC3=CC=CC=C3OC2

InChI

InChI=1S/C21H19ClN2O5/c1-13-16(22)6-4-7-17(13)24-19(25)10-23-20(26)12-29-21(27)15-9-14-5-2-3-8-18(14)28-11-15/h2-9H,10-12H2,1H3,(H,23,26)(H,24,25)