methyl 3-[[2-butyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]-4-chloranyl-benzoate

Systemtic Name: methyl 3-[[2-butyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]-4-chloranyl-benzoate Openeye Name: methyl 3-[(2-butyl-1,3-dioxo-isoindoline-5-carbonyl)amino]-4-chloro-benzoate CAS Name: 3-[[(2-butyl-1,3-dioxo-5-isoindolyl)-oxomethyl]amino]-4-chlorobenzoic acid methyl ester IUPAC Name: methyl 3-[(2-butyl-1,3-dioxoisoindole-5-carbonyl)amino]-4-chlorobenzoate Traditional Name: 3-[(2-butyl-1,3-diketo-isoindoline-5-carbonyl)amino]-4-chloro-benzoic acid methyl ester Formula: C21H19ClN2O5 MolecularWeight: 414.83896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)Cl

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)Cl

InChI

InChI=1S/C21H19ClN2O5/c1-3-4-9-24-19(26)14-7-5-12(10-15(14)20(24)27)18(25)23-17-11-13(21(28)29-2)6-8-16(17)22/h5-8,10-11H,3-4,9H2,1-2H3,(H,23,25)