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

Systemtic Name: pentyl 4-[[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]methylamino]benzoate Openeye Name: pentyl 4-[(5-nitro-1,3-dioxo-isoindolin-2-yl)methylamino]benzoate CAS Name: 4-[(5-nitro-1,3-dioxo-2-isoindolyl)methylamino]benzoic acid pentyl ester IUPAC Name: pentyl 4-[(5-nitro-1,3-dioxoisoindol-2-yl)methylamino]benzoate Traditional Name: 4-[(1,3-diketo-5-nitro-isoindolin-2-yl)methylamino]benzoic acid amyl ester Formula: C21H21N3O6 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O6/c1-2-3-4-11-30-21(27)14-5-7-15(8-6-14)22-13-23-19(25)17-10-9-16(24(28)29)12-18(17)20(23)26/h5-10,12,22H,2-4,11,13H2,1H3