3-[2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoylamino]benzoate

Systemtic Name: 3-[2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoylamino]benzoate Openeye Name: 3-[[2-(5-nitro-1,3-dioxo-isoindolin-2-yl)acetyl]amino]benzoate CAS Name: 3-[[2-(5-nitro-1,3-dioxo-2-isoindolyl)-1-oxoethyl]amino]benzoate IUPAC Name: 3-[[2-(5-nitro-1,3-dioxoisoindol-2-yl)acetyl]amino]benzoate Traditional Name: 3-[[2-(1,3-diketo-5-nitro-isoindolin-2-yl)acetyl]amino]benzoate Formula: C17H10N3O7- MolecularWeight: 368.2772

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C17H11N3O7/c21-14(18-10-3-1-2-9(6-10)17(24)25)8-19-15(22)12-5-4-11(20(26)27)7-13(12)16(19)23/h1-7H,8H2,(H,18,21)(H,24,25)/p-1