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

Systemtic Name: methyl 2-[3-[(3-methyl-4-nitro-phenyl)carbonylamino]isoindol-1-ylidene]-3-oxidanylidene-butanoate Openeye Name: methyl 2-[3-[(3-methyl-4-nitro-benzoyl)amino]isoindol-1-ylidene]-3-oxo-butanoate CAS Name: 2-[3-[[(3-methyl-4-nitrophenyl)-oxomethyl]amino]-1-isoindolylidene]-3-oxobutanoic acid methyl ester IUPAC Name: methyl 2-[3-[(3-methyl-4-nitrobenzoyl)amino]isoindol-1-ylidene]-3-oxobutanoate Traditional Name: 3-keto-2-[3-[(3-methyl-4-nitro-benzoyl)amino]isoindol-1-ylidene]butyric acid methyl ester Formula: C21H17N3O6 MolecularWeight: 407.37618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=NC(=C(C(=O)C)C(=O)OC)C3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=NC(=C(C(=O)C)C(=O)OC)C3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O6/c1-11-10-13(8-9-16(11)24(28)29)20(26)23-19-15-7-5-4-6-14(15)18(22-19)17(12(2)25)21(27)30-3/h4-10H,1-3H3,(H,22,23,26)