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

Systemtic Name: ethyl (2Z)-2-[3-(2-chloranylethanoylamino)isoindol-1-ylidene]-3-oxidanylidene-butanoate Openeye Name: ethyl (2Z)-2-[3-[(2-chloroacetyl)amino]isoindol-1-ylidene]-3-oxo-butanoate CAS Name: (2Z)-2-[3-[(2-chloro-1-oxoethyl)amino]-1-isoindolylidene]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl (2Z)-2-[3-[(2-chloroacetyl)amino]isoindol-1-ylidene]-3-oxobutanoate Traditional Name: (2Z)-2-[3-[(2-chloroacetyl)amino]isoindol-1-ylidene]-3-keto-butyric acid ethyl ester Formula: C16H15ClN2O4 MolecularWeight: 334.7543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)/C(=C\1/C2=CC=CC=C2C(=N1)NC(=O)CCl)/C(=O)C

InChI

InChI=1S/C16H15ClN2O4/c1-3-23-16(22)13(9(2)20)14-10-6-4-5-7-11(10)15(19-14)18-12(21)8-17/h4-7H,3,8H2,1-2H3,(H,18,19,21)/b14-13-