butyl 4-[[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]methylamino]benzoate

Systemtic Name: butyl 4-[[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]methylamino]benzoate Openeye Name: butyl 4-[(5-nitro-1,3-dioxo-isoindolin-2-yl)methylamino]benzoate CAS Name: 4-[(5-nitro-1,3-dioxo-2-isoindolyl)methylamino]benzoic acid butyl ester IUPAC Name: butyl 4-[(5-nitro-1,3-dioxoisoindol-2-yl)methylamino]benzoate Traditional Name: 4-[(1,3-diketo-5-nitro-isoindolin-2-yl)methylamino]benzoic acid butyl ester Formula: C20H19N3O6 MolecularWeight: 397.38136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O6/c1-2-3-10-29-20(26)13-4-6-14(7-5-13)21-12-22-18(24)16-9-8-15(23(27)28)11-17(16)19(22)25/h4-9,11,21H,2-3,10,12H2,1H3