ethyl 3-[3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]benzoate

Systemtic Name: ethyl 3-[3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]benzoate Openeye Name: ethyl 3-[3-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanoylamino]benzoate CAS Name: 3-[[3-(4-nitro-1,3-dioxo-2-isoindolyl)-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[3-(4-nitro-1,3-dioxoisoindol-2-yl)propanoylamino]benzoate Traditional Name: 3-[3-(1,3-diketo-4-nitro-isoindolin-2-yl)propanoylamino]benzoic acid ethyl ester Formula: C20H17N3O7 MolecularWeight: 411.36488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O7/c1-2-30-20(27)12-5-3-6-13(11-12)21-16(24)9-10-22-18(25)14-7-4-8-15(23(28)29)17(14)19(22)26/h3-8,11H,2,9-10H2,1H3,(H,21,24)