methyl 2-[3-[(2-chloranyl-4-nitro-phenyl)carbonylamino]isoindol-1-ylidene]-3-oxidanylidene-butanoate

Systemtic Name: methyl 2-[3-[(2-chloranyl-4-nitro-phenyl)carbonylamino]isoindol-1-ylidene]-3-oxidanylidene-butanoate Openeye Name: methyl 2-[3-[(2-chloro-4-nitro-benzoyl)amino]isoindol-1-ylidene]-3-oxo-butanoate CAS Name: 2-[3-[[(2-chloro-4-nitrophenyl)-oxomethyl]amino]-1-isoindolylidene]-3-oxobutanoic acid methyl ester IUPAC Name: methyl 2-[3-[(2-chloro-4-nitrobenzoyl)amino]isoindol-1-ylidene]-3-oxobutanoate Traditional Name: 2-[3-[(2-chloro-4-nitro-benzoyl)amino]isoindol-1-ylidene]-3-keto-butyric acid methyl ester Formula: C20H14ClN3O6 MolecularWeight: 427.79466

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C1C2=CC=CC=C2C(=N1)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)C(=O)OC

Isomeric SMILES

CC(=O)C(=C1C2=CC=CC=C2C(=N1)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)C(=O)OC

InChI

InChI=1S/C20H14ClN3O6/c1-10(25)16(20(27)30-2)17-12-5-3-4-6-13(12)18(22-17)23-19(26)14-8-7-11(24(28)29)9-15(14)21/h3-9H,1-2H3,(H,22,23,26)