methyl 2-[3-(2-chloranylethanoylamino)isoindol-1-ylidene]-3-oxidanylidene-butanoate

Systemtic Name: methyl 2-[3-(2-chloranylethanoylamino)isoindol-1-ylidene]-3-oxidanylidene-butanoate Openeye Name: methyl 2-[3-[(2-chloroacetyl)amino]isoindol-1-ylidene]-3-oxo-butanoate CAS Name: 2-[3-[(2-chloro-1-oxoethyl)amino]-1-isoindolylidene]-3-oxobutanoic acid methyl ester IUPAC Name: methyl 2-[3-[(2-chloroacetyl)amino]isoindol-1-ylidene]-3-oxobutanoate Traditional Name: 2-[3-[(2-chloroacetyl)amino]isoindol-1-ylidene]-3-keto-butyric acid methyl ester Formula: C15H13ClN2O4 MolecularWeight: 320.72772

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C1C2=CC=CC=C2C(=N1)NC(=O)CCl)C(=O)OC

Isomeric SMILES

CC(=O)C(=C1C2=CC=CC=C2C(=N1)NC(=O)CCl)C(=O)OC

InChI

InChI=1S/C15H13ClN2O4/c1-8(19)12(15(21)22-2)13-9-5-3-4-6-10(9)14(18-13)17-11(20)7-16/h3-6H,7H2,1-2H3,(H,17,18,20)