methyl 2-[3-[(4-nitrophenyl)carbonylamino]isoindol-1-ylidene]-3-oxidanylidene-butanoate

Systemtic Name: methyl 2-[3-[(4-nitrophenyl)carbonylamino]isoindol-1-ylidene]-3-oxidanylidene-butanoate Openeye Name: methyl 2-[3-[(4-nitrobenzoyl)amino]isoindol-1-ylidene]-3-oxo-butanoate CAS Name: 2-[3-[[(4-nitrophenyl)-oxomethyl]amino]-1-isoindolylidene]-3-oxobutanoic acid methyl ester IUPAC Name: methyl 2-[3-[(4-nitrobenzoyl)amino]isoindol-1-ylidene]-3-oxobutanoate Traditional Name: 3-keto-2-[3-[(4-nitrobenzoyl)amino]isoindol-1-ylidene]butyric acid methyl ester Formula: C20H15N3O6 MolecularWeight: 393.3496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15N3O6/c1-11(24)16(20(26)29-2)17-14-5-3-4-6-15(14)18(21-17)22-19(25)12-7-9-13(10-8-12)23(27)28/h3-10H,1-2H3,(H,21,22,25)