4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 3-nitrobenzoate

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 3-nitrobenzoate Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)butyl 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid 4-(1,3-dioxo-2-isoindolyl)butyl ester IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)butyl 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid 4-phthalimidobutyl ester Formula: C19H16N2O6 MolecularWeight: 368.34014

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCOC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCOC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H16N2O6/c22-17-15-8-1-2-9-16(15)18(23)20(17)10-3-4-11-27-19(24)13-6-5-7-14(12-13)21(25)26/h1-2,5-9,12H,3-4,10-11H2