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

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 3-methyl-4-nitro-benzoate Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)butyl 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid 4-(1,3-dioxo-2-isoindolyl)butyl ester IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)butyl 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid 4-phthalimidobutyl ester Formula: C20H18N2O6 MolecularWeight: 382.36672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OCCCCN2C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OCCCCN2C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-]

InChI

InChI=1S/C20H18N2O6/c1-13-12-14(8-9-17(13)22(26)27)20(25)28-11-5-4-10-21-18(23)15-6-2-3-7-16(15)19(21)24/h2-3,6-9,12H,4-5,10-11H2,1H3