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

Systemtic Name: 3-[[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]methylamino]benzoate Openeye Name: 3-[(4-nitro-1,3-dioxo-isoindolin-2-yl)methylamino]benzoate CAS Name: 3-[(4-nitro-1,3-dioxo-2-isoindolyl)methylamino]benzoate IUPAC Name: 3-[(4-nitro-1,3-dioxoisoindol-2-yl)methylamino]benzoate Traditional Name: 3-[(1,3-diketo-4-nitro-isoindolin-2-yl)methylamino]benzoate Formula: C16H10N3O6- MolecularWeight: 340.2671

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)NCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C16H11N3O6/c20-14-11-5-2-6-12(19(24)25)13(11)15(21)18(14)8-17-10-4-1-3-9(7-10)16(22)23/h1-7,17H,8H2,(H,22,23)/p-1